N-[3-[(2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-1-methylimidazole-2-carboxamide

C18H20F3N5O — CID 121334875

IUPACN-[3-[(2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-1-methylimidazole-2-carboxamide
SMILESCn1ccnc1C(=O)Nc1ccc(F)c([C@@]2(C)N=C(N)[C@](C)(F)C[C@@H]2F)c1
InChIInChI=1S/C18H20F3N5O/c1-17(21)9-13(20)18(2,25-16(17)22)11-8-10(4-5-12(11)19)24-15(27)14-23-6-7-26(14)3/h4-8,13H,9H2,1-3H3,(H2,22,25)(H,24,27)/t13-,17+,18+/m0/s1
InChIKeyKEFHXOJLHUSKMT-MORSLUCNSA-N
MW379.39 g/mol
LogP2.85
Rot. Bonds3

About N-[3-[(2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-1-methylimidazole-2-carboxamide

N-[3-[(2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-1-methylimidazole-2-carboxamide (PubChem CID 121334875) has the molecular formula C18H20F3N5O and a molecular weight of 379.39 g/mol. Its IUPAC name is N-[3-[(2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-1-methylimidazole-2-carboxamide
PubChem CID121334875
Molecular FormulaC18H20F3N5O
Molecular Weight379.39 g/mol
Exact Mass379.16
IUPAC NameN-[3-[(2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-1-methylimidazole-2-carboxamide
SMILESCn1ccnc1C(=O)Nc1ccc(F)c([C@@]2(C)N=C(N)[C@](C)(F)C[C@@H]2F)c1
InChIInChI=1S/C18H20F3N5O/c1-17(21)9-13(20)18(2,25-16(17)22)11-8-10(4-5-12(11)19)24-15(27)14-23-6-7-26(14)3/h4-8,13H,9H2,1-3H3,(H2,22,25)(H,24,27)/t13-,17+,18+/m0/s1
InChIKeyKEFHXOJLHUSKMT-MORSLUCNSA-N
XLogP2.85
TPSA85.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[(2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-1-methylimidazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-1-methylimidazole-2-carboxamide?
The IUPAC name of N-[3-[(2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-1-methylimidazole-2-carboxamide (CID 121334875) is N-[3-[(2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-[3-[(2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-[3-[(2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-1-methylimidazole-2-carboxamide is Cn1ccnc1C(=O)Nc1ccc(F)c([C@@]2(C)N=C(N)[C@](C)(F)C[C@@H]2F)c1.
What is the InChIKey of N-[3-[(2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-1-methylimidazole-2-carboxamide?
The InChIKey is KEFHXOJLHUSKMT-MORSLUCNSA-N. The full InChI is InChI=1S/C18H20F3N5O/c1-17(21)9-13(20)18(2,25-16(17)22)11-8-10(4-5-12(11)19)24-15(27)14-23-6-7-26(14)3/h4-8,13H,9H2,1-3H3,(H2,22,25)(H,24,27)/t13-,17+,18+/m0/s1.
What are the key properties of N-[3-[(2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-1-methylimidazole-2-carboxamide?
N-[3-[(2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-1-methylimidazole-2-carboxamide has a molecular weight of 379.39 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 121334875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).