(2S,4S)-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide

C16H24N4O — CID 120632060

IUPAC(2S,4S)-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccc(N3CCCC3)nc2)CCN1
InChIInChI=1S/C16H24N4O/c1-12-10-13(6-7-17-12)16(21)19-14-4-5-15(18-11-14)20-8-2-3-9-20/h4-5,11-13,17H,2-3,6-10H2,1H3,(H,19,21)/t12-,13-/m0/s1
InChIKeyYHWHJMSQCJNFBO-STQMWFEESA-N
MW288.39 g/mol
LogP2.01
Rot. Bonds3

About (2S,4S)-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide

(2S,4S)-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide (PubChem CID 120632060) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide
PubChem CID120632060
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name(2S,4S)-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccc(N3CCCC3)nc2)CCN1
InChIInChI=1S/C16H24N4O/c1-12-10-13(6-7-17-12)16(21)19-14-4-5-15(18-11-14)20-8-2-3-9-20/h4-5,11-13,17H,2-3,6-10H2,1H3,(H,19,21)/t12-,13-/m0/s1
InChIKeyYHWHJMSQCJNFBO-STQMWFEESA-N
XLogP2.01
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120632728
N-(6-piperidin-1-yl-3-pyridinyl)oxane-4-carboxamide
CID 30179936
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]cyclobutanecarboxamide
CID 113015663
(2S,4S)-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 120632054
4-hydroxy-N-(6-piperidin-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119840261
(2S,4S)-2-methyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 120642212
(2S,4S)-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120632053
methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 106739126
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120634302
N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]oxane-4-carboxamide
CID 113015664
N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119871174

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide (CID 120632060) is (2S,4S)-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)Nc2ccc(N3CCCC3)nc2)CCN1.
What is the InChIKey of (2S,4S)-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide?
The InChIKey is YHWHJMSQCJNFBO-STQMWFEESA-N. The full InChI is InChI=1S/C16H24N4O/c1-12-10-13(6-7-17-12)16(21)19-14-4-5-15(18-11-14)20-8-2-3-9-20/h4-5,11-13,17H,2-3,6-10H2,1H3,(H,19,21)/t12-,13-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 120632060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).