N-[2-methyl-5-[(3-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide

C24H25N3O3 — CID 172658894

IUPACN-[2-methyl-5-[(3-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(C(=O)NCc2cccc(OC(C)C)c2)cc1NC(=O)c1ccncc1
InChIInChI=1S/C24H25N3O3/c1-16(2)30-21-6-4-5-18(13-21)15-26-23(28)20-8-7-17(3)22(14-20)27-24(29)19-9-11-25-12-10-19/h4-14,16H,15H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyQBDGKSHMOQKERU-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.36
Rot. Bonds7

About N-[2-methyl-5-[(3-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide

N-[2-methyl-5-[(3-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide (PubChem CID 172658894) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[2-methyl-5-[(3-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[(3-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide
PubChem CID172658894
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[2-methyl-5-[(3-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(C(=O)NCc2cccc(OC(C)C)c2)cc1NC(=O)c1ccncc1
InChIInChI=1S/C24H25N3O3/c1-16(2)30-21-6-4-5-18(13-21)15-26-23(28)20-8-7-17(3)22(14-20)27-24(29)19-9-11-25-12-10-19/h4-14,16H,15H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyQBDGKSHMOQKERU-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

3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 4552071
N-[2-methyl-6-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide
CID 47074877
3-N-(2-propan-2-yloxyphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055227
N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide
CID 23906553
3-N-(2-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055185
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
N-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide
CID 23968860
N-[3-[[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]methyl]phenyl]pyridine-4-carboxamide
CID 55903216
methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate
CID 737265
N-[(3-methoxyphenyl)methyl]-5-propan-2-yloxypyridine-3-carboxamide
CID 53138000
2-(2,5-dimethylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 53283832
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[(3-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-methyl-5-[(3-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide (CID 172658894) is N-[2-methyl-5-[(3-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[(3-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-methyl-5-[(3-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide is Cc1ccc(C(=O)NCc2cccc(OC(C)C)c2)cc1NC(=O)c1ccncc1.
What is the InChIKey of N-[2-methyl-5-[(3-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide?
The InChIKey is QBDGKSHMOQKERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-16(2)30-21-6-4-5-18(13-21)15-26-23(28)20-8-7-17(3)22(14-20)27-24(29)19-9-11-25-12-10-19/h4-14,16H,15H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of N-[2-methyl-5-[(3-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide?
N-[2-methyl-5-[(3-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-5-[(3-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 172658894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).