N'-[(1R,2S)-2-aminocyclohexyl]-2-(1,3-benzodioxol-5-ylamino)pyridine-3-carbohydrazide

C19H23N5O3 — CID 123982860

IUPACN'-[(1R,2S)-2-aminocyclohexyl]-2-(1,3-benzodioxol-5-ylamino)pyridine-3-carbohydrazide
SMILESN[C@H]1CCCC[C@H]1NNC(=O)c1cccnc1Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H23N5O3/c20-14-5-1-2-6-15(14)23-24-19(25)13-4-3-9-21-18(13)22-12-7-8-16-17(10-12)27-11-26-16/h3-4,7-10,14-15,23H,1-2,5-6,11,20H2,(H,21,22)(H,24,25)/t14-,15+/m0/s1
InChIKeyHFGBFZUGWNRWGP-LSDHHAIUSA-N
MW369.43 g/mol
LogP2.06
Rot. Bonds5

About N'-[(1R,2S)-2-aminocyclohexyl]-2-(1,3-benzodioxol-5-ylamino)pyridine-3-carbohydrazide

N'-[(1R,2S)-2-aminocyclohexyl]-2-(1,3-benzodioxol-5-ylamino)pyridine-3-carbohydrazide (PubChem CID 123982860) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is N'-[(1R,2S)-2-aminocyclohexyl]-2-(1,3-benzodioxol-5-ylamino)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[(1R,2S)-2-aminocyclohexyl]-2-(1,3-benzodioxol-5-ylamino)pyridine-3-carbohydrazide
PubChem CID123982860
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC NameN'-[(1R,2S)-2-aminocyclohexyl]-2-(1,3-benzodioxol-5-ylamino)pyridine-3-carbohydrazide
SMILESN[C@H]1CCCC[C@H]1NNC(=O)c1cccnc1Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H23N5O3/c20-14-5-1-2-6-15(14)23-24-19(25)13-4-3-9-21-18(13)22-12-7-8-16-17(10-12)27-11-26-16/h3-4,7-10,14-15,23H,1-2,5-6,11,20H2,(H,21,22)(H,24,25)/t14-,15+/m0/s1
InChIKeyHFGBFZUGWNRWGP-LSDHHAIUSA-N
XLogP2.06
TPSA110.53 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84574949
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(1,3-benzodioxol-5-yl)anilino]pyrimidine-5-carboxamide
CID 57472051
2-[[5-[(2-aminocyclohexyl)amino]-6-anilino-4-fluoro-3-pyridinyl]amino]pyridine-3-carboxamide
CID 140606762
N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 46484817
3-amino-N-(1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 104740959
2-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-4-carboxamide
CID 109175070
2-(1,3-benzodioxol-5-ylamino)benzoic acid
CID 643226
6-N-(1,3-benzodioxol-5-yl)-4-N-cyclohexylpyrimidine-4,5,6-triamine
CID 22542049
5-amino-6-(1,3-benzodioxol-5-ylamino)pyridine-3-carboxylic acid
CID 81440039
4-N,6-N-bis(1,3-benzodioxol-5-yl)pyrimidine-4,5,6-triamine
CID 22542016
N-(1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine
CID 53375206
2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide
CID 62151458

Frequently Asked Questions

What is the IUPAC name of N'-[(1R,2S)-2-aminocyclohexyl]-2-(1,3-benzodioxol-5-ylamino)pyridine-3-carbohydrazide?
The IUPAC name of N'-[(1R,2S)-2-aminocyclohexyl]-2-(1,3-benzodioxol-5-ylamino)pyridine-3-carbohydrazide (CID 123982860) is N'-[(1R,2S)-2-aminocyclohexyl]-2-(1,3-benzodioxol-5-ylamino)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[(1R,2S)-2-aminocyclohexyl]-2-(1,3-benzodioxol-5-ylamino)pyridine-3-carbohydrazide?
The canonical SMILES for N'-[(1R,2S)-2-aminocyclohexyl]-2-(1,3-benzodioxol-5-ylamino)pyridine-3-carbohydrazide is N[C@H]1CCCC[C@H]1NNC(=O)c1cccnc1Nc1ccc2c(c1)OCO2.
What is the InChIKey of N'-[(1R,2S)-2-aminocyclohexyl]-2-(1,3-benzodioxol-5-ylamino)pyridine-3-carbohydrazide?
The InChIKey is HFGBFZUGWNRWGP-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H23N5O3/c20-14-5-1-2-6-15(14)23-24-19(25)13-4-3-9-21-18(13)22-12-7-8-16-17(10-12)27-11-26-16/h3-4,7-10,14-15,23H,1-2,5-6,11,20H2,(H,21,22)(H,24,25)/t14-,15+/m0/s1.
What are the key properties of N'-[(1R,2S)-2-aminocyclohexyl]-2-(1,3-benzodioxol-5-ylamino)pyridine-3-carbohydrazide?
N'-[(1R,2S)-2-aminocyclohexyl]-2-(1,3-benzodioxol-5-ylamino)pyridine-3-carbohydrazide has a molecular weight of 369.43 g/mol, XLogP of 2.06, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R,2S)-2-aminocyclohexyl]-2-(1,3-benzodioxol-5-ylamino)pyridine-3-carbohydrazide is sourced from PubChem (CID 123982860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).