N-(furan-2-ylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide

C19H22N6O2 — CID 53172035

IUPACN-(furan-2-ylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
SMILESCC1CCN(c2cc(-n3cnc(C(=O)NCc4ccco4)c3)ncn2)CC1
InChIInChI=1S/C19H22N6O2/c1-14-4-6-24(7-5-14)17-9-18(22-12-21-17)25-11-16(23-13-25)19(26)20-10-15-3-2-8-27-15/h2-3,8-9,11-14H,4-7,10H2,1H3,(H,20,26)
InChIKeyQVKPQFMQKFRONT-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.42
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide

N-(furan-2-ylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide (PubChem CID 53172035) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
PubChem CID53172035
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-(furan-2-ylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
SMILESCC1CCN(c2cc(-n3cnc(C(=O)NCc4ccco4)c3)ncn2)CC1
InChIInChI=1S/C19H22N6O2/c1-14-4-6-24(7-5-14)17-9-18(22-12-21-17)25-11-16(23-13-25)19(26)20-10-15-3-2-8-27-15/h2-3,8-9,11-14H,4-7,10H2,1H3,(H,20,26)
InChIKeyQVKPQFMQKFRONT-UHFFFAOYSA-N
XLogP2.42
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-N-ethyl-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
CID 53171948
N-[(2-methoxyphenyl)methyl]-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53172019
N-(furan-2-ylmethyl)-1-[6-(4-methylanilino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53170553
N-(furan-2-ylmethyl)-6-[4-(4-methylpiperidin-1-yl)anilino]pyridazine-3-carboxamide
CID 109117644
6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109342168
1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide
CID 95102243
N-(furan-2-ylmethyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 119100941
N-[(4-methoxyphenyl)methyl]-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342162
N-[(4-fluorophenyl)methyl]-1-[6-[(2R)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide
CID 95102215
N-(furan-2-ylmethyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362707
N-(furan-2-ylmethyl)-4-[4-(1-hydroxy-2-methylpropyl)piperidin-1-yl]pyridine-2-carboxamide
CID 56869038
3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 53069405

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide (CID 53172035) is N-(furan-2-ylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide is CC1CCN(c2cc(-n3cnc(C(=O)NCc4ccco4)c3)ncn2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide?
The InChIKey is QVKPQFMQKFRONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-14-4-6-24(7-5-14)17-9-18(22-12-21-17)25-11-16(23-13-25)19(26)20-10-15-3-2-8-27-15/h2-3,8-9,11-14H,4-7,10H2,1H3,(H,20,26).
What are the key properties of N-(furan-2-ylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide?
N-(furan-2-ylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide is sourced from PubChem (CID 53172035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).