N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-3-oxopropyl]-4-chlorobenzamide

C18H16BrClN4O2 — CID 55977015

IUPACN-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-3-oxopropyl]-4-chlorobenzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)NCc1cn2cc(Br)ccc2n1
InChIInChI=1S/C18H16BrClN4O2/c19-13-3-6-16-23-15(11-24(16)10-13)9-22-17(25)7-8-21-18(26)12-1-4-14(20)5-2-12/h1-6,10-11H,7-9H2,(H,21,26)(H,22,25)
InChIKeyYXKDCAUKMWODQC-UHFFFAOYSA-N
MW435.71 g/mol
LogP3.19
Rot. Bonds6

About N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-3-oxopropyl]-4-chlorobenzamide

N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-3-oxopropyl]-4-chlorobenzamide (PubChem CID 55977015) has the molecular formula C18H16BrClN4O2 and a molecular weight of 435.71 g/mol. Its IUPAC name is N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-3-oxopropyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-3-oxopropyl]-4-chlorobenzamide
PubChem CID55977015
Molecular FormulaC18H16BrClN4O2
Molecular Weight435.71 g/mol
Exact Mass434.01
IUPAC NameN-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-3-oxopropyl]-4-chlorobenzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)NCc1cn2cc(Br)ccc2n1
InChIInChI=1S/C18H16BrClN4O2/c19-13-3-6-16-23-15(11-24(16)10-13)9-22-17(25)7-8-21-18(26)12-1-4-14(20)5-2-12/h1-6,10-11H,7-9H2,(H,21,26)(H,22,25)
InChIKeyYXKDCAUKMWODQC-UHFFFAOYSA-N
XLogP3.19
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.71
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pentanamide
CID 47343482
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5-triethoxybenzamide
CID 55976377
N-[4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-4-oxobutyl]furan-2-carboxamide
CID 55977281
N-[2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 86920475
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]hexanamide
CID 47151010
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 55978359
N-(2-aminoethyl)-2-(6-bromoimidazo[1,2-a]pyridin-2-yl)acetamide
CID 39161966
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-chloro-4-fluorophenoxy)acetamide
CID 55976005
N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide
CID 7946251
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3,3-dimethylbutanamide
CID 47150050
3-amino-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride
CID 119860105
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide
CID 115625613

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-3-oxopropyl]-4-chlorobenzamide?
The IUPAC name of N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-3-oxopropyl]-4-chlorobenzamide (CID 55977015) is N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-3-oxopropyl]-4-chlorobenzamide.
What is the SMILES notation for N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-3-oxopropyl]-4-chlorobenzamide?
The canonical SMILES for N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-3-oxopropyl]-4-chlorobenzamide is O=C(CCNC(=O)c1ccc(Cl)cc1)NCc1cn2cc(Br)ccc2n1.
What is the InChIKey of N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-3-oxopropyl]-4-chlorobenzamide?
The InChIKey is YXKDCAUKMWODQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrClN4O2/c19-13-3-6-16-23-15(11-24(16)10-13)9-22-17(25)7-8-21-18(26)12-1-4-14(20)5-2-12/h1-6,10-11H,7-9H2,(H,21,26)(H,22,25).
What are the key properties of N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-3-oxopropyl]-4-chlorobenzamide?
N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-3-oxopropyl]-4-chlorobenzamide has a molecular weight of 435.71 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-3-oxopropyl]-4-chlorobenzamide is sourced from PubChem (CID 55977015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).