6-(3,4-dichlorophenyl)-N-(1-piperidin-4-ylethyl)pyrimidine-4-carboxamide

C18H20Cl2N4O — CID 71292443

IUPAC6-(3,4-dichlorophenyl)-N-(1-piperidin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1)C1CCNCC1
InChIInChI=1S/C18H20Cl2N4O/c1-11(12-4-6-21-7-5-12)24-18(25)17-9-16(22-10-23-17)13-2-3-14(19)15(20)8-13/h2-3,8-12,21H,4-7H2,1H3,(H,24,25)
InChIKeyKCYBSEIJBGMOLG-UHFFFAOYSA-N
MW379.29 g/mol
LogP3.57
Rot. Bonds4

About 6-(3,4-dichlorophenyl)-N-(1-piperidin-4-ylethyl)pyrimidine-4-carboxamide

6-(3,4-dichlorophenyl)-N-(1-piperidin-4-ylethyl)pyrimidine-4-carboxamide (PubChem CID 71292443) has the molecular formula C18H20Cl2N4O and a molecular weight of 379.29 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-N-(1-piperidin-4-ylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-N-(1-piperidin-4-ylethyl)pyrimidine-4-carboxamide
PubChem CID71292443
Molecular FormulaC18H20Cl2N4O
Molecular Weight379.29 g/mol
Exact Mass378.10
IUPAC Name6-(3,4-dichlorophenyl)-N-(1-piperidin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1)C1CCNCC1
InChIInChI=1S/C18H20Cl2N4O/c1-11(12-4-6-21-7-5-12)24-18(25)17-9-16(22-10-23-17)13-2-3-14(19)15(20)8-13/h2-3,8-12,21H,4-7H2,1H3,(H,24,25)
InChIKeyKCYBSEIJBGMOLG-UHFFFAOYSA-N
XLogP3.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine-4-carboxamide, 65
CID 44520946
4-Pyrimidinecarboxamide,2-amino-n-[(3-methyl-2-pyridinyl)methyl]-6-phenyl-
CID 44520988
[4-[[[6-(Azetidin-1-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone
CID 10025854
(3,4-Dichlorophenyl)-[4-fluoro-4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10670050
(3,4-Dichlorophenyl)-[4-[[[6-(dimethylamino)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10789182
[4-[[[6-(Azetidin-1-yl)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]-(3,4-dichlorophenyl)methanone
CID 10789756
Pyrimidine-4-carboxamide, 63
CID 44520945
Pyrimidine-4-carboxamide, 64
CID 44520959
Pyrimidine-4-carboxamide, 66
CID 44520960
2-[2-[(1s,2s)-2-[(3,4-Dichlorophenyl)methylcarbamoyl]cyclohexyl]-6-Ethyl-Pyrimidin-4-Yl]-4-Oxidanyl-6-Oxidanylidene-1h-Pyrimidine-5-Carboxamide
CID 117071983
(3,4-Dichlorophenyl)-[4-[[[6-[methyl(propyl)amino]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10527496
(3,4-Dichlorophenyl)-[4-[[[6-(dimethylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10550097

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-N-(1-piperidin-4-ylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3,4-dichlorophenyl)-N-(1-piperidin-4-ylethyl)pyrimidine-4-carboxamide (CID 71292443) is 6-(3,4-dichlorophenyl)-N-(1-piperidin-4-ylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-N-(1-piperidin-4-ylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,4-dichlorophenyl)-N-(1-piperidin-4-ylethyl)pyrimidine-4-carboxamide is CC(NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1)C1CCNCC1.
What is the InChIKey of 6-(3,4-dichlorophenyl)-N-(1-piperidin-4-ylethyl)pyrimidine-4-carboxamide?
The InChIKey is KCYBSEIJBGMOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O/c1-11(12-4-6-21-7-5-12)24-18(25)17-9-16(22-10-23-17)13-2-3-14(19)15(20)8-13/h2-3,8-12,21H,4-7H2,1H3,(H,24,25).
What are the key properties of 6-(3,4-dichlorophenyl)-N-(1-piperidin-4-ylethyl)pyrimidine-4-carboxamide?
6-(3,4-dichlorophenyl)-N-(1-piperidin-4-ylethyl)pyrimidine-4-carboxamide has a molecular weight of 379.29 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-N-(1-piperidin-4-ylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 71292443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).