N-[6-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide

C27H38N6O2 — CID 143222544

IUPACN-[6-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(C3CCN(C(=O)CN(C)C)CC3)nc2C2=CCC(C)(C)CC2)[nH]1
InChIInChI=1S/C27H38N6O2/c1-18-16-28-25(29-18)26(35)31-22-7-6-21(30-24(22)20-8-12-27(2,3)13-9-20)19-10-14-33(15-11-19)23(34)17-32(4)5/h6-8,16,19H,9-15,17H2,1-5H3,(H,28,29)(H,31,35)
InChIKeyFVAOUMBNGWDKPH-UHFFFAOYSA-N
MW478.64 g/mol
LogP4.23
Rot. Bonds6

About N-[6-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide

N-[6-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide (PubChem CID 143222544) has the molecular formula C27H38N6O2 and a molecular weight of 478.64 g/mol. Its IUPAC name is N-[6-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[6-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide
PubChem CID143222544
Molecular FormulaC27H38N6O2
Molecular Weight478.64 g/mol
Exact Mass478.31
IUPAC NameN-[6-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(C3CCN(C(=O)CN(C)C)CC3)nc2C2=CCC(C)(C)CC2)[nH]1
InChIInChI=1S/C27H38N6O2/c1-18-16-28-25(29-18)26(35)31-22-7-6-21(30-24(22)20-8-12-27(2,3)13-9-20)19-10-14-33(15-11-19)23(34)17-32(4)5/h6-8,16,19H,9-15,17H2,1-5H3,(H,28,29)(H,31,35)
InChIKeyFVAOUMBNGWDKPH-UHFFFAOYSA-N
XLogP4.23
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide?
The IUPAC name of N-[6-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide (CID 143222544) is N-[6-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[6-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[6-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide is Cc1cnc(C(=O)Nc2ccc(C3CCN(C(=O)CN(C)C)CC3)nc2C2=CCC(C)(C)CC2)[nH]1.
What is the InChIKey of N-[6-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide?
The InChIKey is FVAOUMBNGWDKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N6O2/c1-18-16-28-25(29-18)26(35)31-22-7-6-21(30-24(22)20-8-12-27(2,3)13-9-20)19-10-14-33(15-11-19)23(34)17-32(4)5/h6-8,16,19H,9-15,17H2,1-5H3,(H,28,29)(H,31,35).
What are the key properties of N-[6-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide?
N-[6-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide has a molecular weight of 478.64 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-5-methyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 143222544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).