4-N-butan-2-yl-2-N-cyclopropylpyridine-2,4-dicarboxamide

C14H19N3O2 — CID 109078600

IUPAC4-N-butan-2-yl-2-N-cyclopropylpyridine-2,4-dicarboxamide
SMILESCCC(C)NC(=O)c1ccnc(C(=O)NC2CC2)c1
InChIInChI=1S/C14H19N3O2/c1-3-9(2)16-13(18)10-6-7-15-12(8-10)14(19)17-11-4-5-11/h6-9,11H,3-5H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyISYMMQDCTUIIIH-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.50
Rot. Bonds5

About 4-N-butan-2-yl-2-N-cyclopropylpyridine-2,4-dicarboxamide

4-N-butan-2-yl-2-N-cyclopropylpyridine-2,4-dicarboxamide (PubChem CID 109078600) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-N-butan-2-yl-2-N-cyclopropylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butan-2-yl-2-N-cyclopropylpyridine-2,4-dicarboxamide
PubChem CID109078600
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-N-butan-2-yl-2-N-cyclopropylpyridine-2,4-dicarboxamide
SMILESCCC(C)NC(=O)c1ccnc(C(=O)NC2CC2)c1
InChIInChI=1S/C14H19N3O2/c1-3-9(2)16-13(18)10-6-7-15-12(8-10)14(19)17-11-4-5-11/h6-9,11H,3-5H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyISYMMQDCTUIIIH-UHFFFAOYSA-N
XLogP1.50
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-butan-2-yl-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078405
2-N-butan-2-yl-4-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109080128
2-N-cyclopropyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109078607
3-N-butan-2-yl-1-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051430
N-butan-2-yl-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109080013
4-(butan-2-ylamino)-N-cyclohexylpyridine-2-carboxamide
CID 109203427
6-N-butan-2-yl-2-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093809
2-[(4-methylcycloheptyl)carbamoyl]pyridine-4-carboxylic acid
CID 122056326
4-N-butan-2-yl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109080107
N-butan-2-yl-4-(cyclopentylamino)pyridine-2-carboxamide
CID 109203234
4-N-butyl-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109079185
2-bromo-N-butan-2-ylpyridine-4-carboxamide
CID 103751691

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-2-N-cyclopropylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-butan-2-yl-2-N-cyclopropylpyridine-2,4-dicarboxamide (CID 109078600) is 4-N-butan-2-yl-2-N-cyclopropylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-butan-2-yl-2-N-cyclopropylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-butan-2-yl-2-N-cyclopropylpyridine-2,4-dicarboxamide is CCC(C)NC(=O)c1ccnc(C(=O)NC2CC2)c1.
What is the InChIKey of 4-N-butan-2-yl-2-N-cyclopropylpyridine-2,4-dicarboxamide?
The InChIKey is ISYMMQDCTUIIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-9(2)16-13(18)10-6-7-15-12(8-10)14(19)17-11-4-5-11/h6-9,11H,3-5H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 4-N-butan-2-yl-2-N-cyclopropylpyridine-2,4-dicarboxamide?
4-N-butan-2-yl-2-N-cyclopropylpyridine-2,4-dicarboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-2-N-cyclopropylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109078600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).