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

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Related Compounds

N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1H-imidazole-2-carboxamide
CID 54755403
N-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-pyrimidin-5-yl-1H-imidazole-2-carboxamide
CID 54756015
1-[2-fluoro-6-[[5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carbonyl]amino]phenyl]-N-methylpiperidine-4-carboxamide
CID 54756253
1-[2-fluoro-6-[[5-(2-methyl-4-pyridinyl)-1H-imidazole-2-carbonyl]amino]phenyl]-N,N-dimethylpiperidine-4-carboxamide
CID 89456317
N-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-(2-amino-6-methylpyrimidin-4-yl)-1H-imidazole-2-carboxamide
CID 54756128
N-[2-[(3R)-3-aminopiperidin-1-yl]-3-fluorophenyl]-5-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]-3H-pyrrole-2-carboxamide
CID 159923854
N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2-fluorobenzamide
CID 170647838
N-[2-(3-aminopiperidin-1-yl)-3-fluorophenyl]-2-[1-(3,4-dihydro-2H-thiopyran-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 123906017
N-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-[6-[(3S)-3-(cyclohexylcarbamoyl)-3-methoxypyrrolidin-1-yl]-2-(methylamino)pyrimidin-4-yl]-1H-imidazole-2-carboxamide
CID 89456329
5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 67499805
5-amino-N-[7-[(3S)-3-aminopiperidin-1-yl]thieno[3,2-b]pyridin-6-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 86726665
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-chloropyridine-3-carboxamide
CID 58195503

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).