N-(butan-2-ylideneamino)-2-methylpyridine-4-carboxamide

C11H15N3O — CID 74329809

IUPACN-(butan-2-ylideneamino)-2-methylpyridine-4-carboxamide
SMILESCCC(C)=NNC(=O)c1ccnc(C)c1
InChIInChI=1S/C11H15N3O/c1-4-8(2)13-14-11(15)10-5-6-12-9(3)7-10/h5-7H,4H2,1-3H3,(H,14,15)
InChIKeyWRENSBSFFYJJAQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.91
Rot. Bonds3

About N-(butan-2-ylideneamino)-2-methylpyridine-4-carboxamide

N-(butan-2-ylideneamino)-2-methylpyridine-4-carboxamide (PubChem CID 74329809) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(butan-2-ylideneamino)-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(butan-2-ylideneamino)-2-methylpyridine-4-carboxamide
PubChem CID74329809
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-(butan-2-ylideneamino)-2-methylpyridine-4-carboxamide
SMILESCCC(C)=NNC(=O)c1ccnc(C)c1
InChIInChI=1S/C11H15N3O/c1-4-8(2)13-14-11(15)10-5-6-12-9(3)7-10/h5-7H,4H2,1-3H3,(H,14,15)
InChIKeyWRENSBSFFYJJAQ-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
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-(pentan-3-ylideneamino)pyridine-4-carboxamide
CID 121001993
2-[(2-methylpyridine-4-carbonyl)hydrazinylidene]pentanedioic acid
CID 3028423
2-methyl-N-(1-naphthalen-2-ylethylideneamino)pyridine-4-carboxamide
CID 174219694
N,2-dimethylpyridine-4-carboxamide;ethane
CID 143416894
2-methyl-N-(2-methylpropylideneamino)pyridine-4-carboxamide
CID 74935568
N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-4-carboxamide
CID 106753467
dichloromethane;2-methylpyridine-4-carbohydrazide
CID 157362616
4-amino-N-[(Z)-butan-2-ylideneamino]benzamide
CID 5399430
N-[2-(ethylamino)ethyl]-2-methylpyridine-4-carboxamide
CID 106753602
3-methylidene-1-(2-methyl-4-pyridinyl)pentan-1-one
CID 106754699
N-[(2R)-2-hydroxybutyl]-2-methylpyridine-4-carboxamide
CID 130260711
N-(butan-2-ylideneamino)-3-iodo-4-methoxybenzamide
CID 932230

Frequently Asked Questions

What is the IUPAC name of N-(butan-2-ylideneamino)-2-methylpyridine-4-carboxamide?
The IUPAC name of N-(butan-2-ylideneamino)-2-methylpyridine-4-carboxamide (CID 74329809) is N-(butan-2-ylideneamino)-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(butan-2-ylideneamino)-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-(butan-2-ylideneamino)-2-methylpyridine-4-carboxamide is CCC(C)=NNC(=O)c1ccnc(C)c1.
What is the InChIKey of N-(butan-2-ylideneamino)-2-methylpyridine-4-carboxamide?
The InChIKey is WRENSBSFFYJJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-4-8(2)13-14-11(15)10-5-6-12-9(3)7-10/h5-7H,4H2,1-3H3,(H,14,15).
What are the key properties of N-(butan-2-ylideneamino)-2-methylpyridine-4-carboxamide?
N-(butan-2-ylideneamino)-2-methylpyridine-4-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butan-2-ylideneamino)-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 74329809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).