6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide

C18H22N4O — CID 47042368

IUPAC6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCc2ccc(N3CCCCC3)nc2)n1
InChIInChI=1S/C18H22N4O/c1-14-6-5-7-16(21-14)18(23)20-13-15-8-9-17(19-12-15)22-10-3-2-4-11-22/h5-9,12H,2-4,10-11,13H2,1H3,(H,20,23)
InChIKeyFXPRAVSKEQTKQJ-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.71
Rot. Bonds4

About 6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide

6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide (PubChem CID 47042368) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
PubChem CID47042368
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCc2ccc(N3CCCCC3)nc2)n1
InChIInChI=1S/C18H22N4O/c1-14-6-5-7-16(21-14)18(23)20-13-15-8-9-17(19-12-15)22-10-3-2-4-11-22/h5-9,12H,2-4,10-11,13H2,1H3,(H,20,23)
InChIKeyFXPRAVSKEQTKQJ-UHFFFAOYSA-N
XLogP2.71
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 51080809
5-[[(6-methylpyridine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099042
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-bromobenzamide
CID 71842550
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
5-acetyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 51081411
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
CID 71842545
2,4-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528042
2-methyl-5-methylsulfanyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 30832353
2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide
CID 71842567
(2R)-2-amino-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 119846624
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
CID 71842546

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide (CID 47042368) is 6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide is Cc1cccc(C(=O)NCc2ccc(N3CCCCC3)nc2)n1.
What is the InChIKey of 6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide?
The InChIKey is FXPRAVSKEQTKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-14-6-5-7-16(21-14)18(23)20-13-15-8-9-17(19-12-15)22-10-3-2-4-11-22/h5-9,12H,2-4,10-11,13H2,1H3,(H,20,23).
What are the key properties of 6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide?
6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 47042368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).