N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]quinoline-2-carboxamide

C21H23N5O — CID 154803218

IUPACN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]quinoline-2-carboxamide
SMILESCCc1cc(N2CCC(NC(=O)c3ccc4ccccc4n3)CC2)ncn1
InChIInChI=1S/C21H23N5O/c1-2-16-13-20(23-14-22-16)26-11-9-17(10-12-26)24-21(27)19-8-7-15-5-3-4-6-18(15)25-19/h3-8,13-14,17H,2,9-12H2,1H3,(H,24,27)
InChIKeyJMHFLEPATZEBTB-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.99
Rot. Bonds4

About N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]quinoline-2-carboxamide

N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]quinoline-2-carboxamide (PubChem CID 154803218) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]quinoline-2-carboxamide
PubChem CID154803218
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]quinoline-2-carboxamide
SMILESCCc1cc(N2CCC(NC(=O)c3ccc4ccccc4n3)CC2)ncn1
InChIInChI=1S/C21H23N5O/c1-2-16-13-20(23-14-22-16)26-11-9-17(10-12-26)24-21(27)19-8-7-15-5-3-4-6-18(15)25-19/h3-8,13-14,17H,2,9-12H2,1H3,(H,24,27)
InChIKeyJMHFLEPATZEBTB-UHFFFAOYSA-N
XLogP2.99
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]benzamide;dihydrochloride
CID 119947419
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1-phenylpyrrolidine-3-carboxamide
CID 136545875
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
CID 139008101
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 136512439
4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide
CID 119897919
4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide;dihydrochloride
CID 119897918
(2S)-2-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]-2-phenylacetamide
CID 96525935
3-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1-[(2-methoxyphenyl)methyl]-1-methylurea
CID 126794942
7-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]heptanamide
CID 119897857
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]quinoline-2-carboxamide
CID 71795002
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 126775320
(2R)-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride
CID 119897858

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]quinoline-2-carboxamide?
The IUPAC name of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]quinoline-2-carboxamide (CID 154803218) is N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]quinoline-2-carboxamide.
What is the SMILES notation for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]quinoline-2-carboxamide?
The canonical SMILES for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]quinoline-2-carboxamide is CCc1cc(N2CCC(NC(=O)c3ccc4ccccc4n3)CC2)ncn1.
What is the InChIKey of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]quinoline-2-carboxamide?
The InChIKey is JMHFLEPATZEBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-2-16-13-20(23-14-22-16)26-11-9-17(10-12-26)24-21(27)19-8-7-15-5-3-4-6-18(15)25-19/h3-8,13-14,17H,2,9-12H2,1H3,(H,24,27).
What are the key properties of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]quinoline-2-carboxamide?
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]quinoline-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]quinoline-2-carboxamide is sourced from PubChem (CID 154803218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).