N-benzyl-N-ethyl-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide

C23H28N6O — CID 53171948

IUPACN-benzyl-N-ethyl-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cn(-c2cc(N3CCC(C)CC3)ncn2)cn1
InChIInChI=1S/C23H28N6O/c1-3-27(14-19-7-5-4-6-8-19)23(30)20-15-29(17-26-20)22-13-21(24-16-25-22)28-11-9-18(2)10-12-28/h4-8,13,15-18H,3,9-12,14H2,1-2H3
InChIKeyRSSLXGDNNWGGSK-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.56
Rot. Bonds6

About N-benzyl-N-ethyl-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide

N-benzyl-N-ethyl-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide (PubChem CID 53171948) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is N-benzyl-N-ethyl-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
PubChem CID53171948
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC NameN-benzyl-N-ethyl-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cn(-c2cc(N3CCC(C)CC3)ncn2)cn1
InChIInChI=1S/C23H28N6O/c1-3-27(14-19-7-5-4-6-8-19)23(30)20-15-29(17-26-20)22-13-21(24-16-25-22)28-11-9-18(2)10-12-28/h4-8,13,15-18H,3,9-12,14H2,1-2H3
InChIKeyRSSLXGDNNWGGSK-UHFFFAOYSA-N
XLogP3.56
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-ethyl-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364114
N,N-diethyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342197
N-(furan-2-ylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
CID 53172035
N-benzyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpyrimidine-4-carboxamide
CID 109349485
6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109342168
N-benzyl-N-ethyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109349548
N-benzyl-N-ethyl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109212514
N-(3,4-dimethoxyphenyl)-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
CID 53172007
N-benzyl-N-ethyl-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203831
N-benzyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrazine-2-carboxamide
CID 109282732
N-benzyl-2-[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-N-ethylacetamide
CID 110278136
N-phenyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53171968

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide (CID 53171948) is N-benzyl-N-ethyl-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide is CCN(Cc1ccccc1)C(=O)c1cn(-c2cc(N3CCC(C)CC3)ncn2)cn1.
What is the InChIKey of N-benzyl-N-ethyl-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide?
The InChIKey is RSSLXGDNNWGGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-3-27(14-19-7-5-4-6-8-19)23(30)20-15-29(17-26-20)22-13-21(24-16-25-22)28-11-9-18(2)10-12-28/h4-8,13,15-18H,3,9-12,14H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide?
N-benzyl-N-ethyl-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide has a molecular weight of 404.52 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide is sourced from PubChem (CID 53171948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).