5-chloro-2-(diethylamino)-N-[3-(morpholine-4-carbonyl)phenyl]pyrimidine-4-carboxamide

C20H24ClN5O3 — CID 48659953

IUPAC5-chloro-2-(diethylamino)-N-[3-(morpholine-4-carbonyl)phenyl]pyrimidine-4-carboxamide
SMILESCCN(CC)c1ncc(Cl)c(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)n1
InChIInChI=1S/C20H24ClN5O3/c1-3-25(4-2)20-22-13-16(21)17(24-20)18(27)23-15-7-5-6-14(12-15)19(28)26-8-10-29-11-9-26/h5-7,12-13H,3-4,8-11H2,1-2H3,(H,23,27)
InChIKeyNSIPWQAHASDCDE-UHFFFAOYSA-N
MW417.90 g/mol
LogP2.70
Rot. Bonds6

About 5-chloro-2-(diethylamino)-N-[3-(morpholine-4-carbonyl)phenyl]pyrimidine-4-carboxamide

5-chloro-2-(diethylamino)-N-[3-(morpholine-4-carbonyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 48659953) has the molecular formula C20H24ClN5O3 and a molecular weight of 417.90 g/mol. Its IUPAC name is 5-chloro-2-(diethylamino)-N-[3-(morpholine-4-carbonyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(diethylamino)-N-[3-(morpholine-4-carbonyl)phenyl]pyrimidine-4-carboxamide
PubChem CID48659953
Molecular FormulaC20H24ClN5O3
Molecular Weight417.90 g/mol
Exact Mass417.16
IUPAC Name5-chloro-2-(diethylamino)-N-[3-(morpholine-4-carbonyl)phenyl]pyrimidine-4-carboxamide
SMILESCCN(CC)c1ncc(Cl)c(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)n1
InChIInChI=1S/C20H24ClN5O3/c1-3-25(4-2)20-22-13-16(21)17(24-20)18(27)23-15-7-5-6-14(12-15)19(28)26-8-10-29-11-9-26/h5-7,12-13H,3-4,8-11H2,1-2H3,(H,23,27)
InChIKeyNSIPWQAHASDCDE-UHFFFAOYSA-N
XLogP2.70
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetylphenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082912
4-ethoxy-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205497
3-ethoxy-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205535
N-[3-(morpholine-4-carbonyl)phenyl]-3-propoxybenzamide
CID 17205539
N-[3-(morpholine-4-carbonyl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 46964376
4-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide
CID 55797364
5-chloro-2-(diethylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)pyrimidine-4-carboxamide
CID 48655928
N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86996534
N-[3-(morpholine-4-carbonyl)phenyl]quinoline-7-carboxamide
CID 155312844
2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749
2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 46736679
N-[3-(morpholine-4-carbonyl)phenyl]-4-phenylbenzamide
CID 17205412

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(diethylamino)-N-[3-(morpholine-4-carbonyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-2-(diethylamino)-N-[3-(morpholine-4-carbonyl)phenyl]pyrimidine-4-carboxamide (CID 48659953) is 5-chloro-2-(diethylamino)-N-[3-(morpholine-4-carbonyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(diethylamino)-N-[3-(morpholine-4-carbonyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-2-(diethylamino)-N-[3-(morpholine-4-carbonyl)phenyl]pyrimidine-4-carboxamide is CCN(CC)c1ncc(Cl)c(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)n1.
What is the InChIKey of 5-chloro-2-(diethylamino)-N-[3-(morpholine-4-carbonyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is NSIPWQAHASDCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O3/c1-3-25(4-2)20-22-13-16(21)17(24-20)18(27)23-15-7-5-6-14(12-15)19(28)26-8-10-29-11-9-26/h5-7,12-13H,3-4,8-11H2,1-2H3,(H,23,27).
What are the key properties of 5-chloro-2-(diethylamino)-N-[3-(morpholine-4-carbonyl)phenyl]pyrimidine-4-carboxamide?
5-chloro-2-(diethylamino)-N-[3-(morpholine-4-carbonyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 417.90 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(diethylamino)-N-[3-(morpholine-4-carbonyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 48659953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).