N-butan-2-yl-4-(2-phenylethylamino)pyridine-2-carboxamide

C18H23N3O — CID 109203268

IUPACN-butan-2-yl-4-(2-phenylethylamino)pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(NCCc2ccccc2)ccn1
InChIInChI=1S/C18H23N3O/c1-3-14(2)21-18(22)17-13-16(10-12-20-17)19-11-9-15-7-5-4-6-8-15/h4-8,10,12-14H,3,9,11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyRDBLIZAXKMWZOZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.26
Rot. Bonds7

About N-butan-2-yl-4-(2-phenylethylamino)pyridine-2-carboxamide

N-butan-2-yl-4-(2-phenylethylamino)pyridine-2-carboxamide (PubChem CID 109203268) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-butan-2-yl-4-(2-phenylethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(2-phenylethylamino)pyridine-2-carboxamide
PubChem CID109203268
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-butan-2-yl-4-(2-phenylethylamino)pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(NCCc2ccccc2)ccn1
InChIInChI=1S/C18H23N3O/c1-3-14(2)21-18(22)17-13-16(10-12-20-17)19-11-9-15-7-5-4-6-8-15/h4-8,10,12-14H,3,9,11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyRDBLIZAXKMWZOZ-UHFFFAOYSA-N
XLogP3.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109210644
N-butan-2-yl-4-(butylamino)pyridine-2-carboxamide
CID 109202657
N-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide
CID 62171647
4-anilino-N-butan-2-ylpyridine-2-carboxamide
CID 109203318
N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213524
N-butan-2-yl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109203245
4-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109213682
N-pentan-2-yl-4-(propylamino)pyridine-2-carboxamide
CID 62185598
N-(4-chlorophenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213688
4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213527
N-butan-2-yl-4-(2-tert-butylanilino)pyridine-2-carboxamide
CID 109203340
N-(2,5-dimethylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213674

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(2-phenylethylamino)pyridine-2-carboxamide?
The IUPAC name of N-butan-2-yl-4-(2-phenylethylamino)pyridine-2-carboxamide (CID 109203268) is N-butan-2-yl-4-(2-phenylethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-(2-phenylethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-4-(2-phenylethylamino)pyridine-2-carboxamide is CCC(C)NC(=O)c1cc(NCCc2ccccc2)ccn1.
What is the InChIKey of N-butan-2-yl-4-(2-phenylethylamino)pyridine-2-carboxamide?
The InChIKey is RDBLIZAXKMWZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-3-14(2)21-18(22)17-13-16(10-12-20-17)19-11-9-15-7-5-4-6-8-15/h4-8,10,12-14H,3,9,11H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of N-butan-2-yl-4-(2-phenylethylamino)pyridine-2-carboxamide?
N-butan-2-yl-4-(2-phenylethylamino)pyridine-2-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(2-phenylethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109203268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).