6-hydrazinyl-N-[(2R)-1-oxo-1-[(2R)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidin-1-yl]propan-2-yl]pyridine-3-carboxamide

C23H34BN5O4 — CID 169445687

IUPAC6-hydrazinyl-N-[(2R)-1-oxo-1-[(2R)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidin-1-yl]propan-2-yl]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(NN)nc1)C(=O)N1CCC[C@H]1B1O[C@H]2C[C@H]3C[C@H](C3(C)C)[C@@]2(C)O1
InChIInChI=1S/C23H34BN5O4/c1-13(27-20(30)14-7-8-19(28-25)26-12-14)21(31)29-9-5-6-18(29)24-32-17-11-15-10-16(22(15,2)3)23(17,4)33-24/h7-8,12-13,15-18H,5-6,9-11,25H2,1-4H3,(H,26,28)(H,27,30)/t13-,15-,16-,17+,18+,23-/m1/s1
InChIKeyGIOVXWGJMLHUGH-PCPMBENGSA-N
MW455.37 g/mol
LogP1.74
Rot. Bonds5

About 6-hydrazinyl-N-[(2R)-1-oxo-1-[(2R)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidin-1-yl]propan-2-yl]pyridine-3-carboxamide

6-hydrazinyl-N-[(2R)-1-oxo-1-[(2R)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidin-1-yl]propan-2-yl]pyridine-3-carboxamide (PubChem CID 169445687) has the molecular formula C23H34BN5O4 and a molecular weight of 455.37 g/mol. Its IUPAC name is 6-hydrazinyl-N-[(2R)-1-oxo-1-[(2R)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidin-1-yl]propan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-hydrazinyl-N-[(2R)-1-oxo-1-[(2R)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidin-1-yl]propan-2-yl]pyridine-3-carboxamide
PubChem CID169445687
Molecular FormulaC23H34BN5O4
Molecular Weight455.37 g/mol
Exact Mass455.27
IUPAC Name6-hydrazinyl-N-[(2R)-1-oxo-1-[(2R)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidin-1-yl]propan-2-yl]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(NN)nc1)C(=O)N1CCC[C@H]1B1O[C@H]2C[C@H]3C[C@H](C3(C)C)[C@@]2(C)O1
InChIInChI=1S/C23H34BN5O4/c1-13(27-20(30)14-7-8-19(28-25)26-12-14)21(31)29-9-5-6-18(29)24-32-17-11-15-10-16(22(15,2)3)23(17,4)33-24/h7-8,12-13,15-18H,5-6,9-11,25H2,1-4H3,(H,26,28)(H,27,30)/t13-,15-,16-,17+,18+,23-/m1/s1
InChIKeyGIOVXWGJMLHUGH-PCPMBENGSA-N
XLogP1.74
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.37
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-hydrazinyl-N-[(2R)-1-oxo-1-[(2R)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidin-1-yl]propan-2-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

[(2R)-1-[2-[(6-hydrazinylpyridine-3-carbonyl)amino]propanoyl]pyrrolidin-2-yl]boronic acid
CID 175526481
2-amino-1-[(2R)-2-[(2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidin-1-yl]ethanone
CID 70894744
2-amino-1-[2-[(2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidin-1-yl]ethanone
CID 70894746
2-amino-1-[2-[(2S,6R,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidin-1-yl]ethanone
CID 59282806
2-methylpropyl (2R)-2-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidine-1-carboxylate
CID 10472987
9H-fluoren-9-ylmethyl N-[(2S)-4-methyl-1-oxo-1-[(2R)-2-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidin-1-yl]pentan-2-yl]carbamate
CID 165382102
tert-butyl N-[(2S)-6-(4-aminobutanoylamino)-1-oxo-1-[(2R)-2-[(1S,2S,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidin-1-yl]hexan-2-yl]carbamate
CID 174091494
2-[[(3R)-pyrrolidin-3-yl]amino]-1-[2-[(1R,2S,6R,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidin-1-yl]ethanone
CID 59273553
benzyl N-[(3R,4R)-3-[(2R)-2-[(1R,2S,6R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidine-1-carbonyl]piperidin-4-yl]carbamate
CID 58766969
6-(cyclopropylamino)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyridine-3-carboxamide
CID 95305381
6-hydrazinyl-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 62249334
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzamide;hydrochloride
CID 119634260

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[(2R)-1-oxo-1-[(2R)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidin-1-yl]propan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 6-hydrazinyl-N-[(2R)-1-oxo-1-[(2R)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidin-1-yl]propan-2-yl]pyridine-3-carboxamide (CID 169445687) is 6-hydrazinyl-N-[(2R)-1-oxo-1-[(2R)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidin-1-yl]propan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-hydrazinyl-N-[(2R)-1-oxo-1-[(2R)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidin-1-yl]propan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-hydrazinyl-N-[(2R)-1-oxo-1-[(2R)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidin-1-yl]propan-2-yl]pyridine-3-carboxamide is C[C@@H](NC(=O)c1ccc(NN)nc1)C(=O)N1CCC[C@H]1B1O[C@H]2C[C@H]3C[C@H](C3(C)C)[C@@]2(C)O1.
What is the InChIKey of 6-hydrazinyl-N-[(2R)-1-oxo-1-[(2R)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidin-1-yl]propan-2-yl]pyridine-3-carboxamide?
The InChIKey is GIOVXWGJMLHUGH-PCPMBENGSA-N. The full InChI is InChI=1S/C23H34BN5O4/c1-13(27-20(30)14-7-8-19(28-25)26-12-14)21(31)29-9-5-6-18(29)24-32-17-11-15-10-16(22(15,2)3)23(17,4)33-24/h7-8,12-13,15-18H,5-6,9-11,25H2,1-4H3,(H,26,28)(H,27,30)/t13-,15-,16-,17+,18+,23-/m1/s1.
What are the key properties of 6-hydrazinyl-N-[(2R)-1-oxo-1-[(2R)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidin-1-yl]propan-2-yl]pyridine-3-carboxamide?
6-hydrazinyl-N-[(2R)-1-oxo-1-[(2R)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidin-1-yl]propan-2-yl]pyridine-3-carboxamide has a molecular weight of 455.37 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[(2R)-1-oxo-1-[(2R)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidin-1-yl]propan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 169445687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).