(3R)-N-[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidine-3-carboxamide

C17H26N4O — CID 125146131

IUPAC(3R)-N-[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidine-3-carboxamide
SMILESC[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)[C@@H]1CCNC1
InChIInChI=1S/C17H26N4O/c1-13-11-21(12-15-4-2-3-7-19-15)9-6-16(13)20-17(22)14-5-8-18-10-14/h2-4,7,13-14,16,18H,5-6,8-12H2,1H3,(H,20,22)/t13-,14-,16-/m1/s1
InChIKeyDMIWIFRKSFNVRP-IIAWOOMASA-N
MW302.42 g/mol
LogP1.02
Rot. Bonds4

About (3R)-N-[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidine-3-carboxamide

(3R)-N-[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidine-3-carboxamide (PubChem CID 125146131) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is (3R)-N-[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidine-3-carboxamide
PubChem CID125146131
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name(3R)-N-[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidine-3-carboxamide
SMILESC[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)[C@@H]1CCNC1
InChIInChI=1S/C17H26N4O/c1-13-11-21(12-15-4-2-3-7-19-15)9-6-16(13)20-17(22)14-5-8-18-10-14/h2-4,7,13-14,16,18H,5-6,8-12H2,1H3,(H,20,22)/t13-,14-,16-/m1/s1
InChIKeyDMIWIFRKSFNVRP-IIAWOOMASA-N
XLogP1.02
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-phenylurea
CID 95629029
(2S,3R)-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-prop-1-en-2-yloxolane-3-carboxamide
CID 124883990
1-[(1-hydroxycyclopentyl)methyl]-3-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 111422950
methyl 4-[[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidine-1-carboxylate
CID 124732005
N-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 86962289
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
N-(1-benzylpyrrolidin-3-yl)pyrrolidine-3-carboxamide
CID 63005959
methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate
CID 142605385
2-[(1S)-1-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propyl]phenol
CID 99701830
2-[(1S)-1-[[(3S,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propyl]phenol
CID 99701828
1-[2-fluoro-6-[[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]phenyl]ethanone
CID 124866036
1-[2-fluoro-6-[[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]phenyl]ethanone
CID 96503542

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidine-3-carboxamide (CID 125146131) is (3R)-N-[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidine-3-carboxamide is C[C@@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)[C@@H]1CCNC1.
What is the InChIKey of (3R)-N-[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is DMIWIFRKSFNVRP-IIAWOOMASA-N. The full InChI is InChI=1S/C17H26N4O/c1-13-11-21(12-15-4-2-3-7-19-15)9-6-16(13)20-17(22)14-5-8-18-10-14/h2-4,7,13-14,16,18H,5-6,8-12H2,1H3,(H,20,22)/t13-,14-,16-/m1/s1.
What are the key properties of (3R)-N-[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidine-3-carboxamide?
(3R)-N-[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 125146131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).