N-methyl-4-[methyl-[[2-methyl-5-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]amino]pyridine-2-carboxamide

C27H31N5O3 — CID 58826527

IUPACN-methyl-4-[methyl-[[2-methyl-5-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]amino]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(N(C)C(=O)Nc2cc(C(=O)Nc3ccc(C(C)C)c(C)c3)ccc2C)ccn1
InChIInChI=1S/C27H31N5O3/c1-16(2)22-10-9-20(13-18(22)4)30-25(33)19-8-7-17(3)23(14-19)31-27(35)32(6)21-11-12-29-24(15-21)26(34)28-5/h7-16H,1-6H3,(H,28,34)(H,30,33)(H,31,35)
InChIKeyNJTNNTMBJVYLEJ-UHFFFAOYSA-N
MW473.58 g/mol
LogP5.10
Rot. Bonds6

About N-methyl-4-[methyl-[[2-methyl-5-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]amino]pyridine-2-carboxamide

N-methyl-4-[methyl-[[2-methyl-5-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]amino]pyridine-2-carboxamide (PubChem CID 58826527) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is N-methyl-4-[methyl-[[2-methyl-5-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[methyl-[[2-methyl-5-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]amino]pyridine-2-carboxamide
PubChem CID58826527
Molecular FormulaC27H31N5O3
Molecular Weight473.58 g/mol
Exact Mass473.24
IUPAC NameN-methyl-4-[methyl-[[2-methyl-5-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]amino]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(N(C)C(=O)Nc2cc(C(=O)Nc3ccc(C(C)C)c(C)c3)ccc2C)ccn1
InChIInChI=1S/C27H31N5O3/c1-16(2)22-10-9-20(13-18(22)4)30-25(33)19-8-7-17(3)23(14-19)31-27(35)32(6)21-11-12-29-24(15-21)26(34)28-5/h7-16H,1-6H3,(H,28,34)(H,30,33)(H,31,35)
InChIKeyNJTNNTMBJVYLEJ-UHFFFAOYSA-N
XLogP5.10
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[methyl-[[2-methyl-5-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamoyl]amino]pyridine-2-carboxamide
CID 58826486
N-methyl-4-[methyl(pyridine-4-carbonyl)amino]pyridine-2-carboxamide
CID 174187705
4-methyl-N-(3-methyl-4-propan-2-ylphenyl)-3-[[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)carbamoyl]amino]benzamide;4-methyl-3-[[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)carbamoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide;4-methyl-3-[[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)carbamoyl]amino]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 157169707
2-N-(3,4-dimethylphenyl)-4-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109091918
[5-[2-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]-2-oxo-1H-pyridin-3-yl]carbamic acid
CID 118251433
4-N-(3,4-dimethylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide
CID 109089662
3-[2-(2-aminopyrimidin-5-yl)ethynyl]-4-methyl-N-(3-methyl-4-propan-2-ylphenyl)benzamide
CID 11675382
2-N-(3-fluorophenyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092550
3-[[(6-aminopyrimidin-4-yl)-methylcarbamoyl]amino]-4-methyl-N-phenylbenzamide
CID 143416898
4-methyl-3-[[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)carbamoyl]amino]-N-naphthalen-2-ylbenzamide
CID 58826538
3-ethyl-N-(3-methyl-4-propan-2-ylphenyl)benzamide
CID 142077467
N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41454864

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[methyl-[[2-methyl-5-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[methyl-[[2-methyl-5-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]amino]pyridine-2-carboxamide (CID 58826527) is N-methyl-4-[methyl-[[2-methyl-5-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[methyl-[[2-methyl-5-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[methyl-[[2-methyl-5-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]amino]pyridine-2-carboxamide is CNC(=O)c1cc(N(C)C(=O)Nc2cc(C(=O)Nc3ccc(C(C)C)c(C)c3)ccc2C)ccn1.
What is the InChIKey of N-methyl-4-[methyl-[[2-methyl-5-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]amino]pyridine-2-carboxamide?
The InChIKey is NJTNNTMBJVYLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3/c1-16(2)22-10-9-20(13-18(22)4)30-25(33)19-8-7-17(3)23(14-19)31-27(35)32(6)21-11-12-29-24(15-21)26(34)28-5/h7-16H,1-6H3,(H,28,34)(H,30,33)(H,31,35).
What are the key properties of N-methyl-4-[methyl-[[2-methyl-5-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]amino]pyridine-2-carboxamide?
N-methyl-4-[methyl-[[2-methyl-5-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]amino]pyridine-2-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 5.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[methyl-[[2-methyl-5-[(3-methyl-4-propan-2-ylphenyl)carbamoyl]phenyl]carbamoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 58826527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).