6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide

C19H22N4O2 — CID 133441834

IUPAC6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NCC(=O)NCC3CC3)nc2)cc1
InChIInChI=1S/C19H22N4O2/c1-13-2-7-16(8-3-13)23-19(25)15-6-9-17(20-11-15)21-12-18(24)22-10-14-4-5-14/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,20,21)(H,22,24)(H,23,25)
InChIKeyYDQVDWHZRCJKFK-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.58
Rot. Bonds7

About 6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide

6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide (PubChem CID 133441834) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide
PubChem CID133441834
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NCC(=O)NCC3CC3)nc2)cc1
InChIInChI=1S/C19H22N4O2/c1-13-2-7-16(8-3-13)23-19(25)15-6-9-17(20-11-15)21-12-18(24)22-10-14-4-5-14/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,20,21)(H,22,24)(H,23,25)
InChIKeyYDQVDWHZRCJKFK-UHFFFAOYSA-N
XLogP2.58
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133441783
6-[2-(2,2-dimethylpropanoylamino)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133326827
methyl 4-[[6-[(4-methylphenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109156010
6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133357915
N-(4-bromophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155992
N-(4-methylphenyl)-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide
CID 133383281
N-[6-(ethylamino)-3-pyridinyl]-4-methylbenzamide
CID 115268582
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
6-[(4-methylphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109156003
4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011759
6-[(2,5-dioxopyrrolidin-1-yl)amino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 46507746
N-(cyclobutylmethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62168464

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide (CID 133441834) is 6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(NCC(=O)NCC3CC3)nc2)cc1.
What is the InChIKey of 6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is YDQVDWHZRCJKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-2-7-16(8-3-13)23-19(25)15-6-9-17(20-11-15)21-12-18(24)22-10-14-4-5-14/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,20,21)(H,22,24)(H,23,25).
What are the key properties of 6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide?
6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 133441834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).