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

C16H23ClN4O2 — CID 53300637

IUPAC(2S)-N-(pyridin-2-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccn1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1
InChIInChI=1S/C16H22N4O2.ClH/c21-15(19-11-12-5-1-2-8-17-12)14-7-4-10-20(14)16(22)13-6-3-9-18-13;/h1-2,5,8,13-14,18H,3-4,6-7,9-11H2,(H,19,21);1H/t13-,14-;/m0./s1
InChIKeyXJOLOFJUHONWRX-IODNYQNNSA-N
MW338.84 g/mol
LogP0.86
Rot. Bonds4

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

(2S)-N-(pyridin-2-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 53300637) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is (2S)-N-(pyridin-2-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(pyridin-2-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID53300637
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC Name(2S)-N-(pyridin-2-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccn1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1
InChIInChI=1S/C16H22N4O2.ClH/c21-15(19-11-12-5-1-2-8-17-12)14-7-4-10-20(14)16(22)13-6-3-9-18-13;/h1-2,5,8,13-14,18H,3-4,6-7,9-11H2,(H,19,21);1H/t13-,14-;/m0./s1
InChIKeyXJOLOFJUHONWRX-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

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Related Compounds

N-(pyridin-2-ylmethyl)azocane-2-carboxamide
CID 114240037
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CID 67810790
N-(4-phenylphenyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 140698374
N-naphthalen-2-yl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
CID 140698366
2-phenyl-1-[1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone
CID 160707821
1-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 110687259
(2S)-N-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 93376645
2-[[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]acetic acid
CID 175732650
N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 56832240
[(2S)-piperidin-2-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119901139
(2S)-1-[(2S)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidine-2-carbonyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 51049673
(2S)-N-cyclopropyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 93369523

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(pyridin-2-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-(pyridin-2-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride (CID 53300637) is (2S)-N-(pyridin-2-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-(pyridin-2-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-(pyridin-2-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCc1ccccn1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(pyridin-2-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is XJOLOFJUHONWRX-IODNYQNNSA-N. The full InChI is InChI=1S/C16H22N4O2.ClH/c21-15(19-11-12-5-1-2-8-17-12)14-7-4-10-20(14)16(22)13-6-3-9-18-13;/h1-2,5,8,13-14,18H,3-4,6-7,9-11H2,(H,19,21);1H/t13-,14-;/m0./s1.
What are the key properties of (2S)-N-(pyridin-2-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-(pyridin-2-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-2-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 53300637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).