N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-morpholin-4-ylpyridine-2-carboxamide

C18H27N5O3 — CID 9488329

IUPACN-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESCN1CCN(C(=O)CN(C)C(=O)c2cc(N3CCOCC3)ccn2)CC1
InChIInChI=1S/C18H27N5O3/c1-20-5-7-23(8-6-20)17(24)14-21(2)18(25)16-13-15(3-4-19-16)22-9-11-26-12-10-22/h3-4,13H,5-12,14H2,1-2H3
InChIKeyAALVUDLQVIHPJH-UHFFFAOYSA-N
MW361.45 g/mol
LogP-0.24
Rot. Bonds4

About N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-morpholin-4-ylpyridine-2-carboxamide

N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 9488329) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-morpholin-4-ylpyridine-2-carboxamide
PubChem CID9488329
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC NameN-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESCN1CCN(C(=O)CN(C)C(=O)c2cc(N3CCOCC3)ccn2)CC1
InChIInChI=1S/C18H27N5O3/c1-20-5-7-23(8-6-20)17(24)14-21(2)18(25)16-13-15(3-4-19-16)22-9-11-26-12-10-22/h3-4,13H,5-12,14H2,1-2H3
InChIKeyAALVUDLQVIHPJH-UHFFFAOYSA-N
XLogP-0.24
TPSA69.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4-morpholin-4-ylpyridine-2-carbonyl)piperazin-1-yl]ethanone
CID 109206574
N-(2-methylpropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 109202858
N-benzyl-N-hydroxy-4-morpholin-4-ylpyridine-2-carboxamide
CID 86681827
N,N-dimethyl-4-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyridine-2-carboxamide
CID 136524869
4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109208362
4-morpholin-4-yl-N-[(2S)-2-thiophen-2-ylpropyl]pyridine-2-carboxamide
CID 99630321
N,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 89468282
N-butyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 109216191
N-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208245
N-[2-(6-methyl-3-pyridinyl)ethyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 91650790
2-(4-methoxyphenyl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 9488367
2-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
CID 60707021

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-morpholin-4-ylpyridine-2-carboxamide (CID 9488329) is N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-morpholin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-morpholin-4-ylpyridine-2-carboxamide is CN1CCN(C(=O)CN(C)C(=O)c2cc(N3CCOCC3)ccn2)CC1.
What is the InChIKey of N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-morpholin-4-ylpyridine-2-carboxamide?
The InChIKey is AALVUDLQVIHPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-20-5-7-23(8-6-20)17(24)14-21(2)18(25)16-13-15(3-4-19-16)22-9-11-26-12-10-22/h3-4,13H,5-12,14H2,1-2H3.
What are the key properties of N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-morpholin-4-ylpyridine-2-carboxamide?
N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of -0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 9488329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).