6-[[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-N,N-dimethylpyridine-3-carboxamide

C20H32N4O — CID 95894858

IUPAC6-[[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(N[C@H]2CCCN(CC3CCCCC3)C2)nc1
InChIInChI=1S/C20H32N4O/c1-23(2)20(25)17-10-11-19(21-13-17)22-18-9-6-12-24(15-18)14-16-7-4-3-5-8-16/h10-11,13,16,18H,3-9,12,14-15H2,1-2H3,(H,21,22)/t18-/m0/s1
InChIKeyFMOAMNGSEDWELT-SFHVURJKSA-N
MW344.50 g/mol
LogP3.24
Rot. Bonds5

About 6-[[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-N,N-dimethylpyridine-3-carboxamide

6-[[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 95894858) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 6-[[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-N,N-dimethylpyridine-3-carboxamide
PubChem CID95894858
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name6-[[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(N[C@H]2CCCN(CC3CCCCC3)C2)nc1
InChIInChI=1S/C20H32N4O/c1-23(2)20(25)17-10-11-19(21-13-17)22-18-9-6-12-24(15-18)14-16-7-4-3-5-8-16/h10-11,13,16,18H,3-9,12,14-15H2,1-2H3,(H,21,22)/t18-/m0/s1
InChIKeyFMOAMNGSEDWELT-SFHVURJKSA-N
XLogP3.24
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-N,N-dimethylpyridine-3-carboxamide (CID 95894858) is 6-[[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc(N[C@H]2CCCN(CC3CCCCC3)C2)nc1.
What is the InChIKey of 6-[[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is FMOAMNGSEDWELT-SFHVURJKSA-N. The full InChI is InChI=1S/C20H32N4O/c1-23(2)20(25)17-10-11-19(21-13-17)22-18-9-6-12-24(15-18)14-16-7-4-3-5-8-16/h10-11,13,16,18H,3-9,12,14-15H2,1-2H3,(H,21,22)/t18-/m0/s1.
What are the key properties of 6-[[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-N,N-dimethylpyridine-3-carboxamide?
6-[[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]amino]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 95894858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).