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

C20H26N4O — CID 95229690

IUPAC3-methyl-N-[2-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]ethyl]pyridine-4-carboxamide
SMILESCc1cnccc1C(=O)NCC[C@H]1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C20H26N4O/c1-16-12-22-9-7-19(16)20(25)23-10-6-17-5-3-11-24(14-17)15-18-4-2-8-21-13-18/h2,4,7-9,12-13,17H,3,5-6,10-11,14-15H2,1H3,(H,23,25)/t17-/m1/s1
InChIKeyMEBRJXYGNOAFFC-QGZVFWFLSA-N
MW338.46 g/mol
LogP2.82
Rot. Bonds6

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

3-methyl-N-[2-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]ethyl]pyridine-4-carboxamide (PubChem CID 95229690) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 3-methyl-N-[2-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]ethyl]pyridine-4-carboxamide
PubChem CID95229690
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name3-methyl-N-[2-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]ethyl]pyridine-4-carboxamide
SMILESCc1cnccc1C(=O)NCC[C@H]1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C20H26N4O/c1-16-12-22-9-7-19(16)20(25)23-10-6-17-5-3-11-24(14-17)15-18-4-2-8-21-13-18/h2,4,7-9,12-13,17H,3,5-6,10-11,14-15H2,1H3,(H,23,25)/t17-/m1/s1
InChIKeyMEBRJXYGNOAFFC-QGZVFWFLSA-N
XLogP2.82
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 97227448
3-methyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 125440680
2-ethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 56714461
N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-1H-indole-7-carboxamide
CID 96563164
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
1-(4-benzylpiperazin-1-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propan-1-one
CID 45189885
2-chloro-6-fluoro-3-methyl-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide
CID 124758694
3-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-1-methyl-1-[(3-methyl-4-pyridinyl)methyl]urea
CID 126434110
3-[[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methyl]pyridine
CID 124983720
(2R)-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide
CID 97215175
5-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]-1,3,4-oxadiazol-2-amine
CID 154757683
3-[(1-benzylpiperidin-3-yl)methylamino]pyridine-4-carboxylic acid
CID 71766726

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-N-[2-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]ethyl]pyridine-4-carboxamide (CID 95229690) is 3-methyl-N-[2-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-N-[2-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]ethyl]pyridine-4-carboxamide is Cc1cnccc1C(=O)NCC[C@H]1CCCN(Cc2cccnc2)C1.
What is the InChIKey of 3-methyl-N-[2-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]ethyl]pyridine-4-carboxamide?
The InChIKey is MEBRJXYGNOAFFC-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N4O/c1-16-12-22-9-7-19(16)20(25)23-10-6-17-5-3-11-24(14-17)15-18-4-2-8-21-13-18/h2,4,7-9,12-13,17H,3,5-6,10-11,14-15H2,1H3,(H,23,25)/t17-/m1/s1.
What are the key properties of 3-methyl-N-[2-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]ethyl]pyridine-4-carboxamide?
3-methyl-N-[2-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]ethyl]pyridine-4-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 95229690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).