7-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-oxochromene-2-carboxamide

C21H27N3O3 — CID 118782519

IUPAC7-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-oxochromene-2-carboxamide
SMILESCc1ccc2c(=O)cc(C(=O)NCC3(CN4CCN(C)CC4)CC3)oc2c1
InChIInChI=1S/C21H27N3O3/c1-15-3-4-16-17(25)12-19(27-18(16)11-15)20(26)22-13-21(5-6-21)14-24-9-7-23(2)8-10-24/h3-4,11-12H,5-10,13-14H2,1-2H3,(H,22,26)
InChIKeyLCEBVMKAYBAZJX-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.86
Rot. Bonds5

About 7-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-oxochromene-2-carboxamide

7-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-oxochromene-2-carboxamide (PubChem CID 118782519) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 7-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-oxochromene-2-carboxamide
PubChem CID118782519
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name7-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-oxochromene-2-carboxamide
SMILESCc1ccc2c(=O)cc(C(=O)NCC3(CN4CCN(C)CC4)CC3)oc2c1
InChIInChI=1S/C21H27N3O3/c1-15-3-4-16-17(25)12-19(27-18(16)11-15)20(26)22-13-21(5-6-21)14-24-9-7-23(2)8-10-24/h3-4,11-12H,5-10,13-14H2,1-2H3,(H,22,26)
InChIKeyLCEBVMKAYBAZJX-UHFFFAOYSA-N
XLogP1.86
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-oxochromene-2-carboxamide with MolForge

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Related Compounds

2-(4-methylphenyl)sulfanyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]propanamide
CID 131919326
7-methyl-2-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carbonyl)chromen-4-one;hydrochloride
CID 45371024
5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxochromene-2-carboxamide
CID 138533345
N-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-7-methyl-4-oxochromene-2-carboxamide
CID 124852371
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-7-methyl-4-oxochromene-2-carboxamide;hydrochloride
CID 52988407
3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-5-carboxamide
CID 91957130
2-amino-4-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-1,3-thiazole-5-carboxamide
CID 91838511
5-ethyl-3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
CID 91957127
1-[[(4-oxochromene-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449223
N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide
CID 77086700
7-fluoro-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11509431
N-(cyclohexylmethyl)-6-methyl-4-oxochromene-2-carboxamide
CID 139328086

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-oxochromene-2-carboxamide?
The IUPAC name of 7-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-oxochromene-2-carboxamide (CID 118782519) is 7-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for 7-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for 7-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-oxochromene-2-carboxamide is Cc1ccc2c(=O)cc(C(=O)NCC3(CN4CCN(C)CC4)CC3)oc2c1.
What is the InChIKey of 7-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-oxochromene-2-carboxamide?
The InChIKey is LCEBVMKAYBAZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15-3-4-16-17(25)12-19(27-18(16)11-15)20(26)22-13-21(5-6-21)14-24-9-7-23(2)8-10-24/h3-4,11-12H,5-10,13-14H2,1-2H3,(H,22,26).
What are the key properties of 7-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-oxochromene-2-carboxamide?
7-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-oxochromene-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 118782519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).