(3S)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide

C19H30N4O — CID 124839677

IUPAC(3S)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide
SMILESC[C@@H]1CCCN(CCNC(=O)[C@H]2CCCN(c3ccccn3)C2)C1
InChIInChI=1S/C19H30N4O/c1-16-6-4-11-22(14-16)13-10-21-19(24)17-7-5-12-23(15-17)18-8-2-3-9-20-18/h2-3,8-9,16-17H,4-7,10-15H2,1H3,(H,21,24)/t16-,17+/m1/s1
InChIKeyYVJFQYFFNYIPFC-SJORKVTESA-N
MW330.48 g/mol
LogP2.15
Rot. Bonds5

About (3S)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide

(3S)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 124839677) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is (3S)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID124839677
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name(3S)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide
SMILESC[C@@H]1CCCN(CCNC(=O)[C@H]2CCCN(c3ccccn3)C2)C1
InChIInChI=1S/C19H30N4O/c1-16-6-4-11-22(14-16)13-10-21-19(24)17-7-5-12-23(15-17)18-8-2-3-9-20-18/h2-3,8-9,16-17H,4-7,10-15H2,1H3,(H,21,24)/t16-,17+/m1/s1
InChIKeyYVJFQYFFNYIPFC-SJORKVTESA-N
XLogP2.15
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 99957148
(3R)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 99957145
N-methyl-1-pyridin-2-ylpiperidine-3-carboxamide
CID 133270598
(3S)-N-(2-benzylsulfanylethyl)-1-pyridin-2-ylpiperidine-3-carboxamide
CID 94149399
N-(3-cyclohexylsulfanylpropyl)-1-pyridin-2-ylpiperidine-3-carboxamide
CID 72902609
(3S)-N-(1-ethylpiperidin-4-yl)-1-pyridin-2-ylpiperidine-3-carboxamide
CID 94824323
methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
CID 133326705
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
CID 55718213
N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 92888526
(3S)-N-[2-(azepan-1-yl)ethyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882153
(3R)-N-(3,5-dimethylphenyl)-1-pyridin-2-ylpiperidine-3-carboxamide
CID 51962224
1-(benzenesulfonyl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 133167065

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide (CID 124839677) is (3S)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide is C[C@@H]1CCCN(CCNC(=O)[C@H]2CCCN(c3ccccn3)C2)C1.
What is the InChIKey of (3S)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is YVJFQYFFNYIPFC-SJORKVTESA-N. The full InChI is InChI=1S/C19H30N4O/c1-16-6-4-11-22(14-16)13-10-21-19(24)17-7-5-12-23(15-17)18-8-2-3-9-20-18/h2-3,8-9,16-17H,4-7,10-15H2,1H3,(H,21,24)/t16-,17+/m1/s1.
What are the key properties of (3S)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide?
(3S)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 124839677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).