N-(6-methyl-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide

C12H13N5O3 — CID 60574033

IUPACN-(6-methyl-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide
SMILESCc1cccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)n1
InChIInChI=1S/C12H13N5O3/c1-9-3-2-4-11(14-9)15-12(18)5-6-16-8-10(7-13-16)17(19)20/h2-4,7-8H,5-6H2,1H3,(H,14,15,18)
InChIKeyYUUYNLUJPJDGJK-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.52
Rot. Bonds5

About N-(6-methyl-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide

N-(6-methyl-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide (PubChem CID 60574033) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide
PubChem CID60574033
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC NameN-(6-methyl-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide
SMILESCc1cccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)n1
InChIInChI=1S/C12H13N5O3/c1-9-3-2-4-11(14-9)15-12(18)5-6-16-8-10(7-13-16)17(19)20/h2-4,7-8H,5-6H2,1H3,(H,14,15,18)
InChIKeyYUUYNLUJPJDGJK-UHFFFAOYSA-N
XLogP1.52
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-nitropyrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19393446
(2R)-N-(6-methyl-2-pyridinyl)-2-(4-nitropyrazol-1-yl)propanamide
CID 7304876
6-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 63642913
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-nitropyrazol-1-yl)propanamide
CID 19555640
N-(4,5-dichloro-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide
CID 71869130
N-(2-methylsulfanylphenyl)-4-(4-nitropyrazol-1-yl)butanamide
CID 5306322
N-[3-(3-methylphenoxy)-5-nitrophenyl]-3-(4-nitropyrazol-1-yl)propanamide
CID 19555530
N-(3,5-difluorophenyl)-3-(4-nitropyrazol-1-yl)propanamide
CID 60573218
N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-nitropyrazol-1-yl)propanamide
CID 19393738
methyl 3-(4-nitropyrazol-1-yl)propanoate
CID 4184227
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-nitropyrazol-1-yl)propanamide
CID 19412151
2-ethyl-N-[3-[3-(4-nitropyrazol-1-yl)propanoylamino]phenyl]pyrazole-3-carboxamide
CID 19555628

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide (CID 60574033) is N-(6-methyl-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide is Cc1cccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide?
The InChIKey is YUUYNLUJPJDGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-9-3-2-4-11(14-9)15-12(18)5-6-16-8-10(7-13-16)17(19)20/h2-4,7-8H,5-6H2,1H3,(H,14,15,18).
What are the key properties of N-(6-methyl-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide?
N-(6-methyl-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide has a molecular weight of 275.27 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 60574033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).