4-[butyl(methyl)amino]-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide

C24H27N3O2 — CID 109217883

IUPAC4-[butyl(methyl)amino]-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide
SMILESCCCCN(C)c1ccnc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C24H27N3O2/c1-3-4-16-27(2)21-14-15-25-23(17-21)24(28)26-20-10-12-22(13-11-20)29-18-19-8-6-5-7-9-19/h5-15,17H,3-4,16,18H2,1-2H3,(H,26,28)
InChIKeyFPFMQNDUWIMBGR-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.15
Rot. Bonds9

About 4-[butyl(methyl)amino]-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide

4-[butyl(methyl)amino]-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide (PubChem CID 109217883) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-[butyl(methyl)amino]-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[butyl(methyl)amino]-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide
PubChem CID109217883
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name4-[butyl(methyl)amino]-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide
SMILESCCCCN(C)c1ccnc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C24H27N3O2/c1-3-4-16-27(2)21-14-15-25-23(17-21)24(28)26-20-10-12-22(13-11-20)29-18-19-8-6-5-7-9-19/h5-15,17H,3-4,16,18H2,1-2H3,(H,26,28)
InChIKeyFPFMQNDUWIMBGR-UHFFFAOYSA-N
XLogP5.15
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[butyl(methyl)amino]-N-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 109217837
4-[butyl(methyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109217911
4-[butyl(methyl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109217852
4-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxamide
CID 109217891
4-(2-methoxyethylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide
CID 109205989
4-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109217259
4-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109217835
4-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide
CID 109217497
N-[4-(diethylamino)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide
CID 109219474
6-phenylmethoxy-N-(4-phenylmethoxyphenyl)pyrimidine-4-carboxamide
CID 121167975
4-[benzyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109211059
4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 4950725

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)amino]-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-[butyl(methyl)amino]-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide (CID 109217883) is 4-[butyl(methyl)amino]-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[butyl(methyl)amino]-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[butyl(methyl)amino]-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide is CCCCN(C)c1ccnc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of 4-[butyl(methyl)amino]-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is FPFMQNDUWIMBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-3-4-16-27(2)21-14-15-25-23(17-21)24(28)26-20-10-12-22(13-11-20)29-18-19-8-6-5-7-9-19/h5-15,17H,3-4,16,18H2,1-2H3,(H,26,28).
What are the key properties of 4-[butyl(methyl)amino]-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide?
4-[butyl(methyl)amino]-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 5.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(methyl)amino]-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109217883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).