N-ethyl-6-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxamide

C21H22N4O — CID 133414835

IUPACN-ethyl-6-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(NC(c2cccc(C)c2)c2ccccn2)nc1
InChIInChI=1S/C21H22N4O/c1-3-22-21(26)17-10-11-19(24-14-17)25-20(18-9-4-5-12-23-18)16-8-6-7-15(2)13-16/h4-14,20H,3H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyLRCAMUMHQGTSES-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.74
Rot. Bonds6

About N-ethyl-6-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxamide

N-ethyl-6-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxamide (PubChem CID 133414835) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-ethyl-6-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxamide
PubChem CID133414835
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-ethyl-6-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(NC(c2cccc(C)c2)c2ccccn2)nc1
InChIInChI=1S/C21H22N4O/c1-3-22-21(26)17-10-11-19(24-14-17)25-20(18-9-4-5-12-23-18)16-8-6-7-15(2)13-16/h4-14,20H,3H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyLRCAMUMHQGTSES-UHFFFAOYSA-N
XLogP3.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-propylpyridine-3-carboxamide
CID 133364093
ethyl 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxylate
CID 133364083
N-[(3-methylphenyl)-pyridin-2-ylmethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 133414877
N-ethyl-6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxamide
CID 133316637
3-methyl-N-(2-pyridin-2-ylpropyl)benzamide
CID 91333168
N-[(3-methylphenyl)-pyridin-2-ylmethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 133414669
2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-5-nitropyridine-3-carboxamide
CID 133414724
N-ethyl-6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridine-3-carboxamide
CID 133307236
N-ethyl-6-hydrazinylpyridine-3-carboxamide
CID 20734038
6-[[(3-fluorophenyl)-phenylmethyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133350466
6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-ethylpyridine-3-carboxamide
CID 133351105
[2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133414635

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxamide?
The IUPAC name of N-ethyl-6-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxamide (CID 133414835) is N-ethyl-6-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxamide is CCNC(=O)c1ccc(NC(c2cccc(C)c2)c2ccccn2)nc1.
What is the InChIKey of N-ethyl-6-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxamide?
The InChIKey is LRCAMUMHQGTSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-3-22-21(26)17-10-11-19(24-14-17)25-20(18-9-4-5-12-23-18)16-8-6-7-15(2)13-16/h4-14,20H,3H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of N-ethyl-6-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxamide?
N-ethyl-6-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 133414835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).