(2S)-5-oxo-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride

C14H20ClN5O2 — CID 119494514

IUPAC(2S)-5-oxo-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C1CC[C@@H](C(=O)Nc2ccc(N3CCNCC3)cn2)N1
InChIInChI=1S/C14H19N5O2.ClH/c20-13-4-2-11(17-13)14(21)18-12-3-1-10(9-16-12)19-7-5-15-6-8-19;/h1,3,9,11,15H,2,4-8H2,(H,17,20)(H,16,18,21);1H/t11-;/m0./s1
InChIKeyNJEDBUCWFYITLF-MERQFXBCSA-N
MW325.80 g/mol
LogP0.13
Rot. Bonds3

About (2S)-5-oxo-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride

(2S)-5-oxo-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119494514) has the molecular formula C14H20ClN5O2 and a molecular weight of 325.80 g/mol. Its IUPAC name is (2S)-5-oxo-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-5-oxo-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119494514
Molecular FormulaC14H20ClN5O2
Molecular Weight325.80 g/mol
Exact Mass325.13
IUPAC Name(2S)-5-oxo-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C1CC[C@@H](C(=O)Nc2ccc(N3CCNCC3)cn2)N1
InChIInChI=1S/C14H19N5O2.ClH/c20-13-4-2-11(17-13)14(21)18-12-3-1-10(9-16-12)19-7-5-15-6-8-19;/h1,3,9,11,15H,2,4-8H2,(H,17,20)(H,16,18,21);1H/t11-;/m0./s1
InChIKeyNJEDBUCWFYITLF-MERQFXBCSA-N
XLogP0.13
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentyl-N-(5-piperazin-1-yl-2-pyridinyl)acetamide
CID 119260362
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 75420475
N-(5-piperazin-1-yl-2-pyridinyl)-1-sulfamoylazetidine-3-carboxamide
CID 166394145
1-methyl-N-(5-piperazin-1-yl-2-pyridinyl)cyclopropane-1-carboxamide;hydrochloride
CID 119494178
3-cyclohexyl-N-(5-piperazin-1-yl-2-pyridinyl)propanamide;hydrochloride
CID 119494536
N-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 119494479
2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494622
6-methyl-N-(5-piperazin-1-yl-2-pyridinyl)pyridine-3-carboxamide;dihydrochloride
CID 119494408
2-oxo-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyridine-4-carboxamide;hydrochloride
CID 119494214
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide
CID 84583872
N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide
CID 113031088
(2S)-5-oxo-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 95133563

Frequently Asked Questions

What is the IUPAC name of (2S)-5-oxo-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-5-oxo-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride (CID 119494514) is (2S)-5-oxo-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-5-oxo-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-5-oxo-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C1CC[C@@H](C(=O)Nc2ccc(N3CCNCC3)cn2)N1.
What is the InChIKey of (2S)-5-oxo-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is NJEDBUCWFYITLF-MERQFXBCSA-N. The full InChI is InChI=1S/C14H19N5O2.ClH/c20-13-4-2-11(17-13)14(21)18-12-3-1-10(9-16-12)19-7-5-15-6-8-19;/h1,3,9,11,15H,2,4-8H2,(H,17,20)(H,16,18,21);1H/t11-;/m0./s1.
What are the key properties of (2S)-5-oxo-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride?
(2S)-5-oxo-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 325.80 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-oxo-N-(5-piperazin-1-yl-2-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119494514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).