N-[2-methyl-6-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide

C24H25N3O3 — CID 47074877

IUPACN-[2-methyl-6-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide
SMILESCc1cccc(C(=O)NCc2ccc(OC(C)C)cc2)c1NC(=O)c1ccncc1
InChIInChI=1S/C24H25N3O3/c1-16(2)30-20-9-7-18(8-10-20)15-26-24(29)21-6-4-5-17(3)22(21)27-23(28)19-11-13-25-14-12-19/h4-14,16H,15H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyMICOJWXNUMLRTM-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.36
Rot. Bonds7

About N-[2-methyl-6-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide

N-[2-methyl-6-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide (PubChem CID 47074877) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[2-methyl-6-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-6-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide
PubChem CID47074877
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[2-methyl-6-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide
SMILESCc1cccc(C(=O)NCc2ccc(OC(C)C)cc2)c1NC(=O)c1ccncc1
InChIInChI=1S/C24H25N3O3/c1-16(2)30-20-9-7-18(8-10-20)15-26-24(29)21-6-4-5-17(3)22(21)27-23(28)19-11-13-25-14-12-19/h4-14,16H,15H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyMICOJWXNUMLRTM-UHFFFAOYSA-N
XLogP4.36
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46592887
N-[2-methyl-5-[(3-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide
CID 172658894
N-(2,6-dimethylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756385
1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109046741
N-(2,6-dimethylphenyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 54845330
N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride
CID 120945860
N-[2-[2-(cyclohexen-1-yl)ethylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide
CID 47802697
N'-(4-propan-2-yloxybenzoyl)pyridine-4-carbohydrazide
CID 959964
N-[(1R,2S)-2-[(4-propan-2-yloxyphenyl)methylcarbamoyl]cyclopentyl]pyridine-4-carboxamide
CID 91912948
N-[3-[[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]methyl]phenyl]pyridine-4-carboxamide
CID 55903216
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide
CID 53282891
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 92682909

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-methyl-6-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide (CID 47074877) is N-[2-methyl-6-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-methyl-6-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-methyl-6-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide is Cc1cccc(C(=O)NCc2ccc(OC(C)C)cc2)c1NC(=O)c1ccncc1.
What is the InChIKey of N-[2-methyl-6-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide?
The InChIKey is MICOJWXNUMLRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-16(2)30-20-9-7-18(8-10-20)15-26-24(29)21-6-4-5-17(3)22(21)27-23(28)19-11-13-25-14-12-19/h4-14,16H,15H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of N-[2-methyl-6-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide?
N-[2-methyl-6-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 47074877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).