5-chloro-2-(diethylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carboxamide

C18H23ClN6O2 — CID 48655504

IUPAC5-chloro-2-(diethylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESCCN(CC)c1ncc(Cl)c(C(=O)Nc2ccc(N3CCOCC3)nc2)n1
InChIInChI=1S/C18H23ClN6O2/c1-3-24(4-2)18-21-12-14(19)16(23-18)17(26)22-13-5-6-15(20-11-13)25-7-9-27-10-8-25/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,22,26)
InChIKeyNTCOJMOAJQVYBM-UHFFFAOYSA-N
MW390.88 g/mol
LogP2.46
Rot. Bonds6

About 5-chloro-2-(diethylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carboxamide

5-chloro-2-(diethylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carboxamide (PubChem CID 48655504) has the molecular formula C18H23ClN6O2 and a molecular weight of 390.88 g/mol. Its IUPAC name is 5-chloro-2-(diethylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(diethylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carboxamide
PubChem CID48655504
Molecular FormulaC18H23ClN6O2
Molecular Weight390.88 g/mol
Exact Mass390.16
IUPAC Name5-chloro-2-(diethylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESCCN(CC)c1ncc(Cl)c(C(=O)Nc2ccc(N3CCOCC3)nc2)n1
InChIInChI=1S/C18H23ClN6O2/c1-3-24(4-2)18-21-12-14(19)16(23-18)17(26)22-13-5-6-15(20-11-13)25-7-9-27-10-8-25/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,22,26)
InChIKeyNTCOJMOAJQVYBM-UHFFFAOYSA-N
XLogP2.46
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.88
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4,5-trichloro-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide
CID 43038049
5-chloro-2-(diethylamino)-N-[3-(morpholine-4-carbonyl)phenyl]pyrimidine-4-carboxamide
CID 48659953
5-chloro-2-(diethylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)pyrimidine-4-carboxamide
CID 48655928
5-ethyl-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 57401961
5-bromo-2-chloro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 34442516
2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 17453496
1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241
N-[4-(diethylamino)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114572
2,5-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)thiophene-3-carboxamide
CID 18158652
2-(2,6-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 30770460
2,2-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 11391397
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(diethylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-2-(diethylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carboxamide (CID 48655504) is 5-chloro-2-(diethylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(diethylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-2-(diethylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carboxamide is CCN(CC)c1ncc(Cl)c(C(=O)Nc2ccc(N3CCOCC3)nc2)n1.
What is the InChIKey of 5-chloro-2-(diethylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carboxamide?
The InChIKey is NTCOJMOAJQVYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O2/c1-3-24(4-2)18-21-12-14(19)16(23-18)17(26)22-13-5-6-15(20-11-13)25-7-9-27-10-8-25/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,22,26).
What are the key properties of 5-chloro-2-(diethylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carboxamide?
5-chloro-2-(diethylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carboxamide has a molecular weight of 390.88 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(diethylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 48655504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).