N-cyclopropyl-N-[(1S)-1-pyridin-2-ylethyl]-4-(pyrrol-1-ylmethyl)benzamide

C22H23N3O — CID 95277339

IUPACN-cyclopropyl-N-[(1S)-1-pyridin-2-ylethyl]-4-(pyrrol-1-ylmethyl)benzamide
SMILESC[C@@H](c1ccccn1)N(C(=O)c1ccc(Cn2cccc2)cc1)C1CC1
InChIInChI=1S/C22H23N3O/c1-17(21-6-2-3-13-23-21)25(20-11-12-20)22(26)19-9-7-18(8-10-19)16-24-14-4-5-15-24/h2-10,13-15,17,20H,11-12,16H2,1H3/t17-/m0/s1
InChIKeyMUTCGHARHTZWCJ-KRWDZBQOSA-N
MW345.45 g/mol
LogP4.30
Rot. Bonds6

About N-cyclopropyl-N-[(1S)-1-pyridin-2-ylethyl]-4-(pyrrol-1-ylmethyl)benzamide

N-cyclopropyl-N-[(1S)-1-pyridin-2-ylethyl]-4-(pyrrol-1-ylmethyl)benzamide (PubChem CID 95277339) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-cyclopropyl-N-[(1S)-1-pyridin-2-ylethyl]-4-(pyrrol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(1S)-1-pyridin-2-ylethyl]-4-(pyrrol-1-ylmethyl)benzamide
PubChem CID95277339
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-cyclopropyl-N-[(1S)-1-pyridin-2-ylethyl]-4-(pyrrol-1-ylmethyl)benzamide
SMILESC[C@@H](c1ccccn1)N(C(=O)c1ccc(Cn2cccc2)cc1)C1CC1
InChIInChI=1S/C22H23N3O/c1-17(21-6-2-3-13-23-21)25(20-11-12-20)22(26)19-9-7-18(8-10-19)16-24-14-4-5-15-24/h2-10,13-15,17,20H,11-12,16H2,1H3/t17-/m0/s1
InChIKeyMUTCGHARHTZWCJ-KRWDZBQOSA-N
XLogP4.30
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
4-(imidazol-1-ylmethyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 136579493
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-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide
CID 71937517
N-cyclopropyl-3-[(3-methylphenyl)methoxy]-N-(1-pyridin-2-ylethyl)benzamide
CID 55921071
2-benzyl-N-cyclopropyl-4-methyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 55919915
N-cyclopropyl-3-[4-(methylsulfamoyl)phenyl]-N-(1-pyridin-2-ylethyl)propanamide
CID 55919526
N-benzyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(1-pyridin-2-ylethyl)benzamide
CID 86898588
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 95228851
3-(3-chlorophenyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-carboxamide
CID 71937515

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(1S)-1-pyridin-2-ylethyl]-4-(pyrrol-1-ylmethyl)benzamide?
The IUPAC name of N-cyclopropyl-N-[(1S)-1-pyridin-2-ylethyl]-4-(pyrrol-1-ylmethyl)benzamide (CID 95277339) is N-cyclopropyl-N-[(1S)-1-pyridin-2-ylethyl]-4-(pyrrol-1-ylmethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-[(1S)-1-pyridin-2-ylethyl]-4-(pyrrol-1-ylmethyl)benzamide?
The canonical SMILES for N-cyclopropyl-N-[(1S)-1-pyridin-2-ylethyl]-4-(pyrrol-1-ylmethyl)benzamide is C[C@@H](c1ccccn1)N(C(=O)c1ccc(Cn2cccc2)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(1S)-1-pyridin-2-ylethyl]-4-(pyrrol-1-ylmethyl)benzamide?
The InChIKey is MUTCGHARHTZWCJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H23N3O/c1-17(21-6-2-3-13-23-21)25(20-11-12-20)22(26)19-9-7-18(8-10-19)16-24-14-4-5-15-24/h2-10,13-15,17,20H,11-12,16H2,1H3/t17-/m0/s1.
What are the key properties of N-cyclopropyl-N-[(1S)-1-pyridin-2-ylethyl]-4-(pyrrol-1-ylmethyl)benzamide?
N-cyclopropyl-N-[(1S)-1-pyridin-2-ylethyl]-4-(pyrrol-1-ylmethyl)benzamide has a molecular weight of 345.45 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(1S)-1-pyridin-2-ylethyl]-4-(pyrrol-1-ylmethyl)benzamide is sourced from PubChem (CID 95277339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).