N-[(6-methyl-2-pyridinyl)methyl]-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide

C20H27N7O2 — CID 136527153

IUPACN-[(6-methyl-2-pyridinyl)methyl]-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCc1cccc(CNC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)n1
InChIInChI=1S/C20H27N7O2/c1-16-3-2-4-17(24-16)14-21-20(28)27-7-5-25(6-8-27)18-13-19(23-15-22-18)26-9-11-29-12-10-26/h2-4,13,15H,5-12,14H2,1H3,(H,21,28)
InChIKeyJCYSAYZGOVJPNA-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.05
Rot. Bonds4

About N-[(6-methyl-2-pyridinyl)methyl]-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide

N-[(6-methyl-2-pyridinyl)methyl]-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 136527153) has the molecular formula C20H27N7O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)methyl]-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-2-pyridinyl)methyl]-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
PubChem CID136527153
Molecular FormulaC20H27N7O2
Molecular Weight397.48 g/mol
Exact Mass397.22
IUPAC NameN-[(6-methyl-2-pyridinyl)methyl]-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCc1cccc(CNC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)n1
InChIInChI=1S/C20H27N7O2/c1-16-3-2-4-17(24-16)14-21-20(28)27-7-5-25(6-8-27)18-13-19(23-15-22-18)26-9-11-29-12-10-26/h2-4,13,15H,5-12,14H2,1H3,(H,21,28)
InChIKeyJCYSAYZGOVJPNA-UHFFFAOYSA-N
XLogP1.05
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(6-methyl-2-pyridinyl)methyl]-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide with MolForge

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Related Compounds

N-(6-methyl-2-pyridinyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 154752851
N-(3-fluoro-2-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56920620
4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylbenzamide
CID 138031186
N-[(6-methyl-2-pyridinyl)methyl]-N'-(3-morpholin-4-ylphenyl)oxamide
CID 87044150
3-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-3-phenylazetidine-1-carboxamide
CID 136554218
N-(2-chloro-4-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921210
4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
CID 171334065
4-(4-methylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108394
1-[(6-methyl-2-pyridinyl)methyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea
CID 87009815
(5S)-3-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95894343
N-(2,6-difluorophenyl)-4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 122344725
7-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide
CID 136532576

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide (CID 136527153) is N-[(6-methyl-2-pyridinyl)methyl]-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(6-methyl-2-pyridinyl)methyl]-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[(6-methyl-2-pyridinyl)methyl]-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide is Cc1cccc(CNC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)n1.
What is the InChIKey of N-[(6-methyl-2-pyridinyl)methyl]-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide?
The InChIKey is JCYSAYZGOVJPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O2/c1-16-3-2-4-17(24-16)14-21-20(28)27-7-5-25(6-8-27)18-13-19(23-15-22-18)26-9-11-29-12-10-26/h2-4,13,15H,5-12,14H2,1H3,(H,21,28).
What are the key properties of N-[(6-methyl-2-pyridinyl)methyl]-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide?
N-[(6-methyl-2-pyridinyl)methyl]-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyridinyl)methyl]-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 136527153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).