N-(2-methylpentan-3-ylideneamino)pyridine-4-carboxamide

C12H17N3O — CID 84902461

IUPACN-(2-methylpentan-3-ylideneamino)pyridine-4-carboxamide
SMILESCCC(=NNC(=O)c1ccncc1)C(C)C
InChIInChI=1S/C12H17N3O/c1-4-11(9(2)3)14-15-12(16)10-5-7-13-8-6-10/h5-9H,4H2,1-3H3,(H,15,16)
InChIKeyUOFDXXMIFRTBFP-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.23
Rot. Bonds4

About N-(2-methylpentan-3-ylideneamino)pyridine-4-carboxamide

N-(2-methylpentan-3-ylideneamino)pyridine-4-carboxamide (PubChem CID 84902461) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-(2-methylpentan-3-ylideneamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpentan-3-ylideneamino)pyridine-4-carboxamide
PubChem CID84902461
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-(2-methylpentan-3-ylideneamino)pyridine-4-carboxamide
SMILESCCC(=NNC(=O)c1ccncc1)C(C)C
InChIInChI=1S/C12H17N3O/c1-4-11(9(2)3)14-15-12(16)10-5-7-13-8-6-10/h5-9H,4H2,1-3H3,(H,15,16)
InChIKeyUOFDXXMIFRTBFP-UHFFFAOYSA-N
XLogP2.23
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methyl-1-phenylpropylidene)amino]pyridine-4-carboxamide
CID 904362
N-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide
CID 6114549
N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
CID 5402716
N-[(E)-[4-[[(2R)-butan-2-yl]amino]-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide
CID 98157343
cobalt;bis(N-(1,1,1-trifluoropropan-2-ylideneamino)pyridine-4-carboxamide)
CID 50896973
N-[(Z)-propylideneamino]pyridine-4-carboxamide
CID 6119038
N-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide
CID 46202828
N-(1-phenylhexylideneamino)pyridine-4-carboxamide
CID 2838403
N-pentan-3-ylpyridine-4-carboxamide
CID 137320352
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]pyridine-4-carboxamide
CID 5394794
2-(4-propan-2-yloxyphenyl)-2-(pyridine-4-carbonylhydrazinylidene)acetic acid
CID 4129362
ethyl (2Z,3Z)-2-hydroxyimino-3-(pyridine-4-carbonylhydrazinylidene)butanoate
CID 135580762

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentan-3-ylideneamino)pyridine-4-carboxamide?
The IUPAC name of N-(2-methylpentan-3-ylideneamino)pyridine-4-carboxamide (CID 84902461) is N-(2-methylpentan-3-ylideneamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-methylpentan-3-ylideneamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2-methylpentan-3-ylideneamino)pyridine-4-carboxamide is CCC(=NNC(=O)c1ccncc1)C(C)C.
What is the InChIKey of N-(2-methylpentan-3-ylideneamino)pyridine-4-carboxamide?
The InChIKey is UOFDXXMIFRTBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-4-11(9(2)3)14-15-12(16)10-5-7-13-8-6-10/h5-9H,4H2,1-3H3,(H,15,16).
What are the key properties of N-(2-methylpentan-3-ylideneamino)pyridine-4-carboxamide?
N-(2-methylpentan-3-ylideneamino)pyridine-4-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentan-3-ylideneamino)pyridine-4-carboxamide is sourced from PubChem (CID 84902461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).