N-(4-chlorophenyl)-4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)morpholine-2-carboxamide

C21H20ClN5O3 — CID 59793876

IUPACN-(4-chlorophenyl)-4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)morpholine-2-carboxamide
SMILESCn1c(N2CCOC(C(=O)Nc3ccc(Cl)cc3)C2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C21H20ClN5O3/c1-26-19(28)12-17(14-6-8-23-9-7-14)25-21(26)27-10-11-30-18(13-27)20(29)24-16-4-2-15(22)3-5-16/h2-9,12,18H,10-11,13H2,1H3,(H,24,29)
InChIKeyDXBXJQRKZNCFKD-UHFFFAOYSA-N
MW425.88 g/mol
LogP2.34
Rot. Bonds4

About N-(4-chlorophenyl)-4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)morpholine-2-carboxamide

N-(4-chlorophenyl)-4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)morpholine-2-carboxamide (PubChem CID 59793876) has the molecular formula C21H20ClN5O3 and a molecular weight of 425.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)morpholine-2-carboxamide
PubChem CID59793876
Molecular FormulaC21H20ClN5O3
Molecular Weight425.88 g/mol
Exact Mass425.13
IUPAC NameN-(4-chlorophenyl)-4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)morpholine-2-carboxamide
SMILESCn1c(N2CCOC(C(=O)Nc3ccc(Cl)cc3)C2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C21H20ClN5O3/c1-26-19(28)12-17(14-6-8-23-9-7-14)25-21(26)27-10-11-30-18(13-27)20(29)24-16-4-2-15(22)3-5-16/h2-9,12,18H,10-11,13H2,1H3,(H,24,29)
InChIKeyDXBXJQRKZNCFKD-UHFFFAOYSA-N
XLogP2.34
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.88
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluorophenyl)-4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)morpholine-2-carboxamide
CID 59794158
4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)-N-(2-methylphenyl)morpholine-2-carboxamide
CID 59793903
2-[2-(3,4-dichlorobenzoyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 59793951
3-methyl-2-[2-(4-methylpiperazine-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 59793989
2-[2-(4-fluoronaphthalene-1-carbonyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 59794189
3-methyl-2-[2-(2-methylbenzoyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 59794202
3-methyl-2-[2-(naphthalene-1-carbonyl)morpholin-4-yl]-6-pyridin-4-ylpyrimidin-4-one
CID 59794055
1-[4-[4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)morpholin-2-yl]phenyl]-3-pyridin-3-ylthiourea
CID 76594500
2-[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 59794037
2-[2-[4-(3-hydroxyazetidin-1-yl)phenyl]morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 11640345
2-[(3S)-3-(4-chlorophenyl)-5-methylpiperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 91456460
2-[2-(3-methoxyphenyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 10156508

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)morpholine-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)morpholine-2-carboxamide (CID 59793876) is N-(4-chlorophenyl)-4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)morpholine-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)morpholine-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)morpholine-2-carboxamide is Cn1c(N2CCOC(C(=O)Nc3ccc(Cl)cc3)C2)nc(-c2ccncc2)cc1=O.
What is the InChIKey of N-(4-chlorophenyl)-4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)morpholine-2-carboxamide?
The InChIKey is DXBXJQRKZNCFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O3/c1-26-19(28)12-17(14-6-8-23-9-7-14)25-21(26)27-10-11-30-18(13-27)20(29)24-16-4-2-15(22)3-5-16/h2-9,12,18H,10-11,13H2,1H3,(H,24,29).
What are the key properties of N-(4-chlorophenyl)-4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)morpholine-2-carboxamide?
N-(4-chlorophenyl)-4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)morpholine-2-carboxamide has a molecular weight of 425.88 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)morpholine-2-carboxamide is sourced from PubChem (CID 59793876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).