N,1-dimethyl-N-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide

C21H26N6O — CID 172881912

IUPACN,1-dimethyl-N-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide
SMILESCc1nnc(N2CCC(CN(C)C(=O)c3cn(C)cn3)CC2)c2ccccc12
InChIInChI=1S/C21H26N6O/c1-15-17-6-4-5-7-18(17)20(24-23-15)27-10-8-16(9-11-27)12-26(3)21(28)19-13-25(2)14-22-19/h4-7,13-14,16H,8-12H2,1-3H3
InChIKeyFLPYPQSVLIQJPN-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.66
Rot. Bonds4

About N,1-dimethyl-N-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide

N,1-dimethyl-N-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide (PubChem CID 172881912) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is N,1-dimethyl-N-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide
PubChem CID172881912
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC NameN,1-dimethyl-N-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide
SMILESCc1nnc(N2CCC(CN(C)C(=O)c3cn(C)cn3)CC2)c2ccccc12
InChIInChI=1S/C21H26N6O/c1-15-17-6-4-5-7-18(17)20(24-23-15)27-10-8-16(9-11-27)12-26(3)21(28)19-13-25(2)14-22-19/h4-7,13-14,16H,8-12H2,1-3H3
InChIKeyFLPYPQSVLIQJPN-UHFFFAOYSA-N
XLogP2.66
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(3-chloro-2-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881063
N,1-dimethyl-N-[(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)methyl]imidazole-4-carboxamide
CID 172881779
N-[[1-(6-bromoquinazolin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172904251
N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881174
N,1-dimethyl-N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide
CID 172881011
N-[[1-(3-chloro-4-pyridinyl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881066
N,1-dimethyl-N-[[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]imidazole-4-carboxamide
CID 172881133
N-[[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881312
N,1-dimethyl-N-[[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide
CID 172901096
N-[[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881969
N,1-dimethyl-N-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]imidazole-4-carboxamide
CID 172881167
N-[[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881954

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide?
The IUPAC name of N,1-dimethyl-N-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide (CID 172881912) is N,1-dimethyl-N-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide is Cc1nnc(N2CCC(CN(C)C(=O)c3cn(C)cn3)CC2)c2ccccc12.
What is the InChIKey of N,1-dimethyl-N-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide?
The InChIKey is FLPYPQSVLIQJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-15-17-6-4-5-7-18(17)20(24-23-15)27-10-8-16(9-11-27)12-26(3)21(28)19-13-25(2)14-22-19/h4-7,13-14,16H,8-12H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide?
N,1-dimethyl-N-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 172881912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).