N-[3-[butyl(2-hydroxyethyl)carbamoyl]phenyl]pyridine-3-carboxamide

C19H23N3O3 — CID 78862411

IUPACN-[3-[butyl(2-hydroxyethyl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCCCCN(CCO)C(=O)c1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C19H23N3O3/c1-2-3-10-22(11-12-23)19(25)15-6-4-8-17(13-15)21-18(24)16-7-5-9-20-14-16/h4-9,13-14,23H,2-3,10-12H2,1H3,(H,21,24)
InChIKeyVUEWBDFCIAQGME-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.57
Rot. Bonds8

About N-[3-[butyl(2-hydroxyethyl)carbamoyl]phenyl]pyridine-3-carboxamide

N-[3-[butyl(2-hydroxyethyl)carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 78862411) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[3-[butyl(2-hydroxyethyl)carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[butyl(2-hydroxyethyl)carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID78862411
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[3-[butyl(2-hydroxyethyl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCCCCN(CCO)C(=O)c1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C19H23N3O3/c1-2-3-10-22(11-12-23)19(25)15-6-4-8-17(13-15)21-18(24)16-7-5-9-20-14-16/h4-9,13-14,23H,2-3,10-12H2,1H3,(H,21,24)
InChIKeyVUEWBDFCIAQGME-UHFFFAOYSA-N
XLogP2.57
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzamido-N,N-dibutylbenzamide
CID 4270775
N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 60670678
N-butyl-N-propylpyridine-3-carboxamide
CID 71107257
N-[3-[(4-butoxybenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 46547921
N-[3-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 86833573
N-[3-[benzyl(methyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 26162903
3-(3-acetylphenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111119299
3-N-(3-methylphenyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109107576
N-[3-[(3,4-dipropoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55630389
methyl 3-[[3-(dipropylcarbamoyl)benzoyl]amino]benzoate
CID 109056644
N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 30348708
3-N-(3-acetylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106794

Frequently Asked Questions

What is the IUPAC name of N-[3-[butyl(2-hydroxyethyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[butyl(2-hydroxyethyl)carbamoyl]phenyl]pyridine-3-carboxamide (CID 78862411) is N-[3-[butyl(2-hydroxyethyl)carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[butyl(2-hydroxyethyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[butyl(2-hydroxyethyl)carbamoyl]phenyl]pyridine-3-carboxamide is CCCCN(CCO)C(=O)c1cccc(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-[butyl(2-hydroxyethyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is VUEWBDFCIAQGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-3-10-22(11-12-23)19(25)15-6-4-8-17(13-15)21-18(24)16-7-5-9-20-14-16/h4-9,13-14,23H,2-3,10-12H2,1H3,(H,21,24).
What are the key properties of N-[3-[butyl(2-hydroxyethyl)carbamoyl]phenyl]pyridine-3-carboxamide?
N-[3-[butyl(2-hydroxyethyl)carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[butyl(2-hydroxyethyl)carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 78862411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).