6-chloro-N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]pyrazine-2-carboxamide

C26H29ClN4O4 — CID 118929059

IUPAC6-chloro-N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]pyrazine-2-carboxamide
SMILESCOc1ccc(CN(CC(O)CNC(=O)c2cncc(Cl)n2)C2Cc3ccccc3C2)c(OC)c1
InChIInChI=1S/C26H29ClN4O4/c1-34-22-8-7-19(24(11-22)35-2)15-31(20-9-17-5-3-4-6-18(17)10-20)16-21(32)12-29-26(33)23-13-28-14-25(27)30-23/h3-8,11,13-14,20-21,32H,9-10,12,15-16H2,1-2H3,(H,29,33)
InChIKeyDDEVCICPKSTFLY-UHFFFAOYSA-N
MW497.00 g/mol
LogP2.91
Rot. Bonds10

About 6-chloro-N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]pyrazine-2-carboxamide

6-chloro-N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]pyrazine-2-carboxamide (PubChem CID 118929059) has the molecular formula C26H29ClN4O4 and a molecular weight of 497.00 g/mol. Its IUPAC name is 6-chloro-N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]pyrazine-2-carboxamide
PubChem CID118929059
Molecular FormulaC26H29ClN4O4
Molecular Weight497.00 g/mol
Exact Mass496.19
IUPAC Name6-chloro-N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]pyrazine-2-carboxamide
SMILESCOc1ccc(CN(CC(O)CNC(=O)c2cncc(Cl)n2)C2Cc3ccccc3C2)c(OC)c1
InChIInChI=1S/C26H29ClN4O4/c1-34-22-8-7-19(24(11-22)35-2)15-31(20-9-17-5-3-4-6-18(17)10-20)16-21(32)12-29-26(33)23-13-28-14-25(27)30-23/h3-8,11,13-14,20-21,32H,9-10,12,15-16H2,1-2H3,(H,29,33)
InChIKeyDDEVCICPKSTFLY-UHFFFAOYSA-N
XLogP2.91
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.00
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]carbamate
CID 118929093
2-(1-acetylpiperidin-4-yl)imino-N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]-1,3-dihydroazepine-7-carboxamide
CID 145027158
N-[(2R)-3-[2,3-dihydro-1H-inden-2-yl-[(4-hydroxy-2-methoxyphenyl)methyl]amino]-2-hydroxypropyl]-3-(methanesulfonamido)benzamide
CID 145027077
4,6-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-(2-methylbenzoyl)pyridine-2-carboxamide
CID 166822311
2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 39364524
2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetamide
CID 34960365
6-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 111115461
2-(2,4-dimethoxyphenyl)-N-[(2R)-2-hydroxypropyl]acetamide
CID 83031383
N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32893963
1-[(2,4-dimethoxyphenyl)methyl-methylamino]-3-naphthalen-2-yloxypropan-2-ol
CID 16553388
N-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119279598
N-benzyl-2-[[(2,4-dimethoxyphenyl)methyl-(1-phenylethyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 42779145

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]pyrazine-2-carboxamide (CID 118929059) is 6-chloro-N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]pyrazine-2-carboxamide is COc1ccc(CN(CC(O)CNC(=O)c2cncc(Cl)n2)C2Cc3ccccc3C2)c(OC)c1.
What is the InChIKey of 6-chloro-N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]pyrazine-2-carboxamide?
The InChIKey is DDEVCICPKSTFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O4/c1-34-22-8-7-19(24(11-22)35-2)15-31(20-9-17-5-3-4-6-18(17)10-20)16-21(32)12-29-26(33)23-13-28-14-25(27)30-23/h3-8,11,13-14,20-21,32H,9-10,12,15-16H2,1-2H3,(H,29,33).
What are the key properties of 6-chloro-N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]pyrazine-2-carboxamide?
6-chloro-N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]pyrazine-2-carboxamide has a molecular weight of 497.00 g/mol, XLogP of 2.91, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]pyrazine-2-carboxamide is sourced from PubChem (CID 118929059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).