N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazole-2-carboxamide

C20H21FN6O2 — CID 54755655

IUPACN-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazole-2-carboxamide
SMILESN[C@@H]1CCCN(c2c(F)cccc2NC(=O)c2ncc(-c3cc[nH]c(=O)c3)[nH]2)C1
InChIInChI=1S/C20H21FN6O2/c21-14-4-1-5-15(18(14)27-8-2-3-13(22)11-27)26-20(29)19-24-10-16(25-19)12-6-7-23-17(28)9-12/h1,4-7,9-10,13H,2-3,8,11,22H2,(H,23,28)(H,24,25)(H,26,29)/t13-/m1/s1
InChIKeyUUQLKBBIMPHHED-CYBMUJFWSA-N
MW396.43 g/mol
LogP2.08
Rot. Bonds4

About N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazole-2-carboxamide

N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazole-2-carboxamide (PubChem CID 54755655) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazole-2-carboxamide
PubChem CID54755655
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC NameN-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazole-2-carboxamide
SMILESN[C@@H]1CCCN(c2c(F)cccc2NC(=O)c2ncc(-c3cc[nH]c(=O)c3)[nH]2)C1
InChIInChI=1S/C20H21FN6O2/c21-14-4-1-5-15(18(14)27-8-2-3-13(22)11-27)26-20(29)19-24-10-16(25-19)12-6-7-23-17(28)9-12/h1,4-7,9-10,13H,2-3,8,11,22H2,(H,23,28)(H,24,25)(H,26,29)/t13-/m1/s1
InChIKeyUUQLKBBIMPHHED-CYBMUJFWSA-N
XLogP2.08
TPSA119.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazole-2-carboxamide?
The IUPAC name of N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazole-2-carboxamide (CID 54755655) is N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazole-2-carboxamide is N[C@@H]1CCCN(c2c(F)cccc2NC(=O)c2ncc(-c3cc[nH]c(=O)c3)[nH]2)C1.
What is the InChIKey of N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazole-2-carboxamide?
The InChIKey is UUQLKBBIMPHHED-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21FN6O2/c21-14-4-1-5-15(18(14)27-8-2-3-13(22)11-27)26-20(29)19-24-10-16(25-19)12-6-7-23-17(28)9-12/h1,4-7,9-10,13H,2-3,8,11,22H2,(H,23,28)(H,24,25)(H,26,29)/t13-/m1/s1.
What are the key properties of N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazole-2-carboxamide?
N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazole-2-carboxamide has a molecular weight of 396.43 g/mol, XLogP of 2.08, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 54755655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).