2-methyl-N-(2-methylpropylideneamino)pyridine-4-carboxamide

C11H15N3O — CID 74935568

IUPAC2-methyl-N-(2-methylpropylideneamino)pyridine-4-carboxamide
SMILESCc1cc(C(=O)NN=CC(C)C)ccn1
InChIInChI=1S/C11H15N3O/c1-8(2)7-13-14-11(15)10-4-5-12-9(3)6-10/h4-8H,1-3H3,(H,14,15)
InChIKeySODNAYKJMCEKRS-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.76
Rot. Bonds3

About 2-methyl-N-(2-methylpropylideneamino)pyridine-4-carboxamide

2-methyl-N-(2-methylpropylideneamino)pyridine-4-carboxamide (PubChem CID 74935568) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropylideneamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropylideneamino)pyridine-4-carboxamide
PubChem CID74935568
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-methyl-N-(2-methylpropylideneamino)pyridine-4-carboxamide
SMILESCc1cc(C(=O)NN=CC(C)C)ccn1
InChIInChI=1S/C11H15N3O/c1-8(2)7-13-14-11(15)10-4-5-12-9(3)6-10/h4-8H,1-3H3,(H,14,15)
InChIKeySODNAYKJMCEKRS-UHFFFAOYSA-N
XLogP1.76
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.76
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

2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-4-carboxamide
CID 24839706
2-methyl-N-(pentan-3-ylideneamino)pyridine-4-carboxamide
CID 121001993
N,2-dimethylpyridine-4-carboxamide;ethane
CID 143416894
N-(butan-2-ylideneamino)-2-methylpyridine-4-carboxamide
CID 74329809
4-methyl-N-(2-methylpropylideneamino)-3-nitrobenzamide
CID 5112542
N-[(2S)-2-hydroxypropyl]-2-methylpyridine-4-carboxamide
CID 106753450
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylpyridine-4-carboxamide
CID 146020487
N-(2-chloro-3-methylbutyl)-2-methylpyridine-4-carboxamide
CID 106754281
(2R)-3-methyl-2-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752669
N-[(2R)-1-aminopropan-2-yl]-2-methylpyridine-4-carboxamide
CID 106753746
3-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752504
methyl 2-[(2-methylpyridine-4-carbonyl)amino]propanoate
CID 106753807

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropylideneamino)pyridine-4-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylpropylideneamino)pyridine-4-carboxamide (CID 74935568) is 2-methyl-N-(2-methylpropylideneamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylpropylideneamino)pyridine-4-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylpropylideneamino)pyridine-4-carboxamide is Cc1cc(C(=O)NN=CC(C)C)ccn1.
What is the InChIKey of 2-methyl-N-(2-methylpropylideneamino)pyridine-4-carboxamide?
The InChIKey is SODNAYKJMCEKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8(2)7-13-14-11(15)10-4-5-12-9(3)6-10/h4-8H,1-3H3,(H,14,15).
What are the key properties of 2-methyl-N-(2-methylpropylideneamino)pyridine-4-carboxamide?
2-methyl-N-(2-methylpropylideneamino)pyridine-4-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropylideneamino)pyridine-4-carboxamide is sourced from PubChem (CID 74935568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).