N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide

C15H17N3O — CID 71937517

IUPACN-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide
SMILESCC(c1ccccn1)N(C(=O)c1ccc[nH]1)C1CC1
InChIInChI=1S/C15H17N3O/c1-11(13-5-2-3-9-16-13)18(12-7-8-12)15(19)14-6-4-10-17-14/h2-6,9-12,17H,7-8H2,1H3
InChIKeyQFGGMIDZFHHULN-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.78
Rot. Bonds4

About N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide

N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide (PubChem CID 71937517) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide
PubChem CID71937517
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide
SMILESCC(c1ccccn1)N(C(=O)c1ccc[nH]1)C1CC1
InChIInChI=1S/C15H17N3O/c1-11(13-5-2-3-9-16-13)18(12-7-8-12)15(19)14-6-4-10-17-14/h2-6,9-12,17H,7-8H2,1H3
InChIKeyQFGGMIDZFHHULN-UHFFFAOYSA-N
XLogP2.78
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-carboxamide
CID 71937515
N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 96521620
N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(1-pyridin-2-ylethyl)benzamide
CID 71866938
N-cyclopropyl-N-[(1S)-1-pyridin-2-ylethyl]-4-(pyrrol-1-ylmethyl)benzamide
CID 95277339
N-cyclopropyl-N-(1-pyridin-2-ylethyl)-4-(tetrazol-1-yl)benzamide
CID 51093102
N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]-4-(1,3-thiazol-4-yl)benzamide
CID 97222886
N-cyclopropyl-6-methyl-1-propan-2-yl-N-[(1S)-1-pyridin-2-ylethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 51960144
2-benzyl-N-cyclopropyl-4-methyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 55919915
3-(3-bromophenyl)-1-cyclopropyl-1-[(1R)-1-pyridin-2-ylethyl]urea
CID 95786667
N-cyclopropyl-N-(1-pyridin-2-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 71935429
3-(4-chlorophenyl)-1-cyclopentyl-1-[(1S)-1-pyridin-2-ylethyl]urea
CID 159086975
N-cyclopropyl-3-[(3-methylphenyl)methoxy]-N-(1-pyridin-2-ylethyl)benzamide
CID 55921071

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide (CID 71937517) is N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide is CC(c1ccccn1)N(C(=O)c1ccc[nH]1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is QFGGMIDZFHHULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11(13-5-2-3-9-16-13)18(12-7-8-12)15(19)14-6-4-10-17-14/h2-6,9-12,17H,7-8H2,1H3.
What are the key properties of N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide?
N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 71937517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).