N-(4-formamidobutyl)-5-(2-methylpropanoyl)pyridine-3-carboxamide

C15H21N3O3 — CID 162747669

IUPACN-(4-formamidobutyl)-5-(2-methylpropanoyl)pyridine-3-carboxamide
SMILESCC(C)C(=O)c1cncc(C(=O)NCCCCNC=O)c1
InChIInChI=1S/C15H21N3O3/c1-11(2)14(20)12-7-13(9-17-8-12)15(21)18-6-4-3-5-16-10-19/h7-11H,3-6H2,1-2H3,(H,16,19)(H,18,21)
InChIKeyLCKZPWCRIUNZJT-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.18
Rot. Bonds9

About N-(4-formamidobutyl)-5-(2-methylpropanoyl)pyridine-3-carboxamide

N-(4-formamidobutyl)-5-(2-methylpropanoyl)pyridine-3-carboxamide (PubChem CID 162747669) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(4-formamidobutyl)-5-(2-methylpropanoyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-formamidobutyl)-5-(2-methylpropanoyl)pyridine-3-carboxamide
PubChem CID162747669
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(4-formamidobutyl)-5-(2-methylpropanoyl)pyridine-3-carboxamide
SMILESCC(C)C(=O)c1cncc(C(=O)NCCCCNC=O)c1
InChIInChI=1S/C15H21N3O3/c1-11(2)14(20)12-7-13(9-17-8-12)15(21)18-6-4-3-5-16-10-19/h7-11H,3-6H2,1-2H3,(H,16,19)(H,18,21)
InChIKeyLCKZPWCRIUNZJT-UHFFFAOYSA-N
XLogP1.18
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[5-(2-methylpropanoyl)-3-pyridinyl]propan-1-one
CID 59440305
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
3-N,5-N-bis[3-(prop-2-enoylamino)propyl]pyridine-3,5-dicarboxamide
CID 102336709
5-N-butan-2-yl-3-N-butylpyridine-3,5-dicarboxamide
CID 109101912
3-N-pentyl-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101794
5-hydroxy-N-[5-[(5-hydroxypyridine-3-carbonyl)amino]pentyl]pyridine-3-carboxamide
CID 3309734
3-N-pentyl-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109107218
3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109101925
5-N-(2-methoxyethyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
CID 109103452
5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide
CID 109101145
5-[(5-bromopyridine-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682071
5-N-cyclopentyl-3-N-pentylpyridine-3,5-dicarboxamide
CID 109102730

Frequently Asked Questions

What is the IUPAC name of N-(4-formamidobutyl)-5-(2-methylpropanoyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-formamidobutyl)-5-(2-methylpropanoyl)pyridine-3-carboxamide (CID 162747669) is N-(4-formamidobutyl)-5-(2-methylpropanoyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-formamidobutyl)-5-(2-methylpropanoyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-formamidobutyl)-5-(2-methylpropanoyl)pyridine-3-carboxamide is CC(C)C(=O)c1cncc(C(=O)NCCCCNC=O)c1.
What is the InChIKey of N-(4-formamidobutyl)-5-(2-methylpropanoyl)pyridine-3-carboxamide?
The InChIKey is LCKZPWCRIUNZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11(2)14(20)12-7-13(9-17-8-12)15(21)18-6-4-3-5-16-10-19/h7-11H,3-6H2,1-2H3,(H,16,19)(H,18,21).
What are the key properties of N-(4-formamidobutyl)-5-(2-methylpropanoyl)pyridine-3-carboxamide?
N-(4-formamidobutyl)-5-(2-methylpropanoyl)pyridine-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formamidobutyl)-5-(2-methylpropanoyl)pyridine-3-carboxamide is sourced from PubChem (CID 162747669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).