5-[benzyl(propan-2-yl)amino]-N-cyclopropylpyridine-2-carboxamide

C19H23N3O — CID 109179910

IUPAC5-[benzyl(propan-2-yl)amino]-N-cyclopropylpyridine-2-carboxamide
SMILESCC(C)N(Cc1ccccc1)c1ccc(C(=O)NC2CC2)nc1
InChIInChI=1S/C19H23N3O/c1-14(2)22(13-15-6-4-3-5-7-15)17-10-11-18(20-12-17)19(23)21-16-8-9-16/h3-7,10-12,14,16H,8-9,13H2,1-2H3,(H,21,23)
InChIKeyNBDWVSNXIXYVRY-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.39
Rot. Bonds6

About 5-[benzyl(propan-2-yl)amino]-N-cyclopropylpyridine-2-carboxamide

5-[benzyl(propan-2-yl)amino]-N-cyclopropylpyridine-2-carboxamide (PubChem CID 109179910) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 5-[benzyl(propan-2-yl)amino]-N-cyclopropylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[benzyl(propan-2-yl)amino]-N-cyclopropylpyridine-2-carboxamide
PubChem CID109179910
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name5-[benzyl(propan-2-yl)amino]-N-cyclopropylpyridine-2-carboxamide
SMILESCC(C)N(Cc1ccccc1)c1ccc(C(=O)NC2CC2)nc1
InChIInChI=1S/C19H23N3O/c1-14(2)22(13-15-6-4-3-5-7-15)17-10-11-18(20-12-17)19(23)21-16-8-9-16/h3-7,10-12,14,16H,8-9,13H2,1-2H3,(H,21,23)
InChIKeyNBDWVSNXIXYVRY-UHFFFAOYSA-N
XLogP3.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[benzyl(methyl)amino]-N-cyclopropylpyridine-2-carboxamide
CID 109179860
5-[benzyl(methyl)amino]-N-cycloheptylpyridine-2-carboxamide
CID 109189250
5-[benzyl(propan-2-yl)amino]-N-butan-2-ylpyridine-2-carboxamide
CID 109181465
5-[benzyl(ethyl)amino]-N-cyclopentylpyridine-2-carboxamide
CID 109182187
1-[4-[benzyl(propan-2-yl)amino]phenyl]-3-cyclopropylurea
CID 112985056
5-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109195491
2-[benzyl(propan-2-yl)amino]-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322163
[5-[benzyl(propan-2-yl)amino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184622
N-[5-[benzyl(propan-2-yl)amino]-2-pyridinyl]oxolane-2-carboxamide
CID 113030195
[5-[benzyl(propan-2-yl)amino]-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109193808
5-[benzyl(propan-2-yl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109192863
N-cyclopropyl-5-ethylpyridine-2-carboxamide;ethane
CID 166088952

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(propan-2-yl)amino]-N-cyclopropylpyridine-2-carboxamide?
The IUPAC name of 5-[benzyl(propan-2-yl)amino]-N-cyclopropylpyridine-2-carboxamide (CID 109179910) is 5-[benzyl(propan-2-yl)amino]-N-cyclopropylpyridine-2-carboxamide.
What is the SMILES notation for 5-[benzyl(propan-2-yl)amino]-N-cyclopropylpyridine-2-carboxamide?
The canonical SMILES for 5-[benzyl(propan-2-yl)amino]-N-cyclopropylpyridine-2-carboxamide is CC(C)N(Cc1ccccc1)c1ccc(C(=O)NC2CC2)nc1.
What is the InChIKey of 5-[benzyl(propan-2-yl)amino]-N-cyclopropylpyridine-2-carboxamide?
The InChIKey is NBDWVSNXIXYVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14(2)22(13-15-6-4-3-5-7-15)17-10-11-18(20-12-17)19(23)21-16-8-9-16/h3-7,10-12,14,16H,8-9,13H2,1-2H3,(H,21,23).
What are the key properties of 5-[benzyl(propan-2-yl)amino]-N-cyclopropylpyridine-2-carboxamide?
5-[benzyl(propan-2-yl)amino]-N-cyclopropylpyridine-2-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(propan-2-yl)amino]-N-cyclopropylpyridine-2-carboxamide is sourced from PubChem (CID 109179910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).