N-[5-[butyl(methyl)amino]-2-pyridinyl]cyclopropanecarboxamide

C14H21N3O — CID 113030505

IUPACN-[5-[butyl(methyl)amino]-2-pyridinyl]cyclopropanecarboxamide
SMILESCCCCN(C)c1ccc(NC(=O)C2CC2)nc1
InChIInChI=1S/C14H21N3O/c1-3-4-9-17(2)12-7-8-13(15-10-12)16-14(18)11-5-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,15,16,18)
InChIKeyGVIYSQXHWDWZMR-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.67
Rot. Bonds6

About N-[5-[butyl(methyl)amino]-2-pyridinyl]cyclopropanecarboxamide

N-[5-[butyl(methyl)amino]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 113030505) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[5-[butyl(methyl)amino]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[butyl(methyl)amino]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID113030505
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[5-[butyl(methyl)amino]-2-pyridinyl]cyclopropanecarboxamide
SMILESCCCCN(C)c1ccc(NC(=O)C2CC2)nc1
InChIInChI=1S/C14H21N3O/c1-3-4-9-17(2)12-7-8-13(15-10-12)16-14(18)11-5-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,15,16,18)
InChIKeyGVIYSQXHWDWZMR-UHFFFAOYSA-N
XLogP2.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 26216
N-Phenyl-N'-2-pyridinylurea
CID 221427
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CID 72929
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CID 74947
N-(pyridin-2-yl)prop-2-enamide
CID 9920419
3-oxo-N-2-pyridylbutyramide
CID 74260
1,3-Dihydroimidazo(4,5-b)pyridin-2-one
CID 519250
2-(Pivaloylamino)pyridine
CID 1051519
N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 4595252
N-(5-nitropyridin-2-yl)cyclopropanecarboxamide
CID 2849565
N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4780744
N-(5-chloropyridin-2-yl)cyclopropanecarboxamide
CID 686089

Frequently Asked Questions

What is the IUPAC name of N-[5-[butyl(methyl)amino]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[butyl(methyl)amino]-2-pyridinyl]cyclopropanecarboxamide (CID 113030505) is N-[5-[butyl(methyl)amino]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[butyl(methyl)amino]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[butyl(methyl)amino]-2-pyridinyl]cyclopropanecarboxamide is CCCCN(C)c1ccc(NC(=O)C2CC2)nc1.
What is the InChIKey of N-[5-[butyl(methyl)amino]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is GVIYSQXHWDWZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-4-9-17(2)12-7-8-13(15-10-12)16-14(18)11-5-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,15,16,18).
What are the key properties of N-[5-[butyl(methyl)amino]-2-pyridinyl]cyclopropanecarboxamide?
N-[5-[butyl(methyl)amino]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[butyl(methyl)amino]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 113030505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).