N-butyl-4-(1,5-dimethylpyrazol-4-yl)pyridine-2-carboxamide

C15H20N4O — CID 171676419

IUPACN-butyl-4-(1,5-dimethylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCCCCNC(=O)c1cc(-c2cnn(C)c2C)ccn1
InChIInChI=1S/C15H20N4O/c1-4-5-7-17-15(20)14-9-12(6-8-16-14)13-10-18-19(3)11(13)2/h6,8-10H,4-5,7H2,1-3H3,(H,17,20)
InChIKeyDNGVYPWARXUOFI-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.32
Rot. Bonds5

About N-butyl-4-(1,5-dimethylpyrazol-4-yl)pyridine-2-carboxamide

N-butyl-4-(1,5-dimethylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 171676419) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-butyl-4-(1,5-dimethylpyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-4-(1,5-dimethylpyrazol-4-yl)pyridine-2-carboxamide
PubChem CID171676419
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-butyl-4-(1,5-dimethylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCCCCNC(=O)c1cc(-c2cnn(C)c2C)ccn1
InChIInChI=1S/C15H20N4O/c1-4-5-7-17-15(20)14-9-12(6-8-16-14)13-10-18-19(3)11(13)2/h6,8-10H,4-5,7H2,1-3H3,(H,17,20)
InChIKeyDNGVYPWARXUOFI-UHFFFAOYSA-N
XLogP2.32
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(1,5-dimethylpyrazol-4-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466483
2-(butylcarbamoyl)pyridine-4-carboxylic acid
CID 122055000
4-bromo-N-dodecylpyridine-2-carboxamide
CID 132587561
4-chloro-N-hexylpyridine-2-carboxamide
CID 60656473
2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109079380
2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109079379
2-(1,5-dimethylpyrazol-4-yl)-N-octadecylquinoline-4-carboxamide
CID 19512342
N-[3-(dimethylamino)propyl]-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468764
N-butyl-4-(2,6-dimethylanilino)pyridine-2-carboxamide
CID 109202562
ethyl 4-[2-(butylcarbamoyl)pyridine-4-carbonyl]piperazine-1-carboxylate
CID 109079428
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468807
4-(diethylamino)-N-pentylpyridine-2-carboxamide
CID 109216501

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(1,5-dimethylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-butyl-4-(1,5-dimethylpyrazol-4-yl)pyridine-2-carboxamide (CID 171676419) is N-butyl-4-(1,5-dimethylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-butyl-4-(1,5-dimethylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-butyl-4-(1,5-dimethylpyrazol-4-yl)pyridine-2-carboxamide is CCCCNC(=O)c1cc(-c2cnn(C)c2C)ccn1.
What is the InChIKey of N-butyl-4-(1,5-dimethylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is DNGVYPWARXUOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-5-7-17-15(20)14-9-12(6-8-16-14)13-10-18-19(3)11(13)2/h6,8-10H,4-5,7H2,1-3H3,(H,17,20).
What are the key properties of N-butyl-4-(1,5-dimethylpyrazol-4-yl)pyridine-2-carboxamide?
N-butyl-4-(1,5-dimethylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(1,5-dimethylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 171676419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).