2-(2,3-dihydroindol-1-yl)-N-[1-(pyridin-4-ylmethyl)imidazol-2-yl]propanamide

C20H21N5O — CID 167794390

IUPAC2-(2,3-dihydroindol-1-yl)-N-[1-(pyridin-4-ylmethyl)imidazol-2-yl]propanamide
SMILESCC(C(=O)Nc1nccn1Cc1ccncc1)N1CCc2ccccc21
InChIInChI=1S/C20H21N5O/c1-15(25-12-8-17-4-2-3-5-18(17)25)19(26)23-20-22-11-13-24(20)14-16-6-9-21-10-7-16/h2-7,9-11,13,15H,8,12,14H2,1H3,(H,22,23,26)
InChIKeyPKNREJZHVVLAHF-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.72
Rot. Bonds5

About 2-(2,3-dihydroindol-1-yl)-N-[1-(pyridin-4-ylmethyl)imidazol-2-yl]propanamide

2-(2,3-dihydroindol-1-yl)-N-[1-(pyridin-4-ylmethyl)imidazol-2-yl]propanamide (PubChem CID 167794390) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N-[1-(pyridin-4-ylmethyl)imidazol-2-yl]propanamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N-[1-(pyridin-4-ylmethyl)imidazol-2-yl]propanamide
PubChem CID167794390
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name2-(2,3-dihydroindol-1-yl)-N-[1-(pyridin-4-ylmethyl)imidazol-2-yl]propanamide
SMILESCC(C(=O)Nc1nccn1Cc1ccncc1)N1CCc2ccccc21
InChIInChI=1S/C20H21N5O/c1-15(25-12-8-17-4-2-3-5-18(17)25)19(26)23-20-22-11-13-24(20)14-16-6-9-21-10-7-16/h2-7,9-11,13,15H,8,12,14H2,1H3,(H,22,23,26)
InChIKeyPKNREJZHVVLAHF-UHFFFAOYSA-N
XLogP2.72
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(2,3-dichlorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide
CID 7940820
(2R)-N-(3-chlorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide
CID 8704432
(2R)-2-(2,3-dihydroindol-1-yl)-N-(4-fluorophenyl)propanamide
CID 8704324
(2S)-2-(2,3-dihydroindol-1-yl)-N-(2-fluorophenyl)propanamide
CID 8704291
(2S)-2-(2,3-dihydroindol-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 8704347
(2R)-2-(2,3-dihydroindol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9432295
(2S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide
CID 9432032
2-amino-N-(1-benzylimidazol-2-yl)-3-methylpentanamide
CID 119738614
(2S)-2-(2,3-dihydroindol-1-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9432229
2-(2,3-dihydroindol-1-yl)-N-[4-(methanesulfonamidomethyl)phenyl]propanamide
CID 75494168
2-(2,3-dihydroindol-1-yl)pentan-3-one
CID 64868632
(2R)-N-(4-chloro-2-fluorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide
CID 9432138

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-[1-(pyridin-4-ylmethyl)imidazol-2-yl]propanamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-[1-(pyridin-4-ylmethyl)imidazol-2-yl]propanamide (CID 167794390) is 2-(2,3-dihydroindol-1-yl)-N-[1-(pyridin-4-ylmethyl)imidazol-2-yl]propanamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N-[1-(pyridin-4-ylmethyl)imidazol-2-yl]propanamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N-[1-(pyridin-4-ylmethyl)imidazol-2-yl]propanamide is CC(C(=O)Nc1nccn1Cc1ccncc1)N1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N-[1-(pyridin-4-ylmethyl)imidazol-2-yl]propanamide?
The InChIKey is PKNREJZHVVLAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-15(25-12-8-17-4-2-3-5-18(17)25)19(26)23-20-22-11-13-24(20)14-16-6-9-21-10-7-16/h2-7,9-11,13,15H,8,12,14H2,1H3,(H,22,23,26).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N-[1-(pyridin-4-ylmethyl)imidazol-2-yl]propanamide?
2-(2,3-dihydroindol-1-yl)-N-[1-(pyridin-4-ylmethyl)imidazol-2-yl]propanamide has a molecular weight of 347.42 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-N-[1-(pyridin-4-ylmethyl)imidazol-2-yl]propanamide is sourced from PubChem (CID 167794390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).