(2S)-N-(pyridin-4-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride

C16H23ClN4O2 — CID 53300643

IUPAC(2S)-N-(pyridin-4-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccncc1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1
InChIInChI=1S/C16H22N4O2.ClH/c21-15(19-11-12-5-8-17-9-6-12)14-4-2-10-20(14)16(22)13-3-1-7-18-13;/h5-6,8-9,13-14,18H,1-4,7,10-11H2,(H,19,21);1H/t13-,14-;/m0./s1
InChIKeyUEVQQUAOMDCLKD-IODNYQNNSA-N
MW338.84 g/mol
LogP0.86
Rot. Bonds4

About (2S)-N-(pyridin-4-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-(pyridin-4-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 53300643) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is (2S)-N-(pyridin-4-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(pyridin-4-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID53300643
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC Name(2S)-N-(pyridin-4-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccncc1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1
InChIInChI=1S/C16H22N4O2.ClH/c21-15(19-11-12-5-8-17-9-6-12)14-4-2-10-20(14)16(22)13-3-1-7-18-13;/h5-6,8-9,13-14,18H,1-4,7,10-11H2,(H,19,21);1H/t13-,14-;/m0./s1
InChIKeyUEVQQUAOMDCLKD-IODNYQNNSA-N
XLogP0.86
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(pyridin-4-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride with MolForge

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Related Compounds

Ari-3099
CID 71655266
(2S)-2-amino-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one
CID 11346439
Kdoam-28
CID 126961672
Kdoam-29
CID 126961673
(Phenylalaninyl-prolinyl)-(2-(pyridin-4-ylamino)-ethyl)-amine
CID 23586040
Ari-3531
CID 91827371
(2R)-N'-hydroxy-N-[(2R)-1-(methylamino)-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-(2-methylpropyl)butanediamide
CID 44311349
N-cycloheptyl-3-phenyl-2-(1H-pyrrol-1-yl)propanamide
CID 16194113
1-cyclopentyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 3618799
(2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N-(3-pyridin-3-ylpropyl)pyrrolidine-2-carboxamide
CID 9798937
7-Cyclohexyl-1-(pyridin-2-ylmethyl)-1,7-diazaspiro[4.4]nonan-6-one
CID 24759748
deamino-3Pal-Val-Pro-DL-Val-CF2CF3
CID 44360270

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(pyridin-4-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-(pyridin-4-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride (CID 53300643) is (2S)-N-(pyridin-4-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-(pyridin-4-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-(pyridin-4-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCc1ccncc1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(pyridin-4-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is UEVQQUAOMDCLKD-IODNYQNNSA-N. The full InChI is InChI=1S/C16H22N4O2.ClH/c21-15(19-11-12-5-8-17-9-6-12)14-4-2-10-20(14)16(22)13-3-1-7-18-13;/h5-6,8-9,13-14,18H,1-4,7,10-11H2,(H,19,21);1H/t13-,14-;/m0./s1.
What are the key properties of (2S)-N-(pyridin-4-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-(pyridin-4-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(pyridin-4-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 53300643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).