N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2-fluorobenzamide

C23H21F3N4O — CID 170647838

IUPACN-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2-fluorobenzamide
SMILESN[C@@H]1CCCN(c2ccncc2NC(=O)c2cccc(-c3c(F)cccc3F)c2F)C1
InChIInChI=1S/C23H21F3N4O/c24-17-7-2-8-18(25)21(17)15-5-1-6-16(22(15)26)23(31)29-19-12-28-10-9-20(19)30-11-3-4-14(27)13-30/h1-2,5-10,12,14H,3-4,11,13,27H2,(H,29,31)/t14-/m1/s1
InChIKeyIIMNQENKFXBSBN-CQSZACIVSA-N
MW426.44 g/mol
LogP4.35
Rot. Bonds4

About N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2-fluorobenzamide

N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2-fluorobenzamide (PubChem CID 170647838) has the molecular formula C23H21F3N4O and a molecular weight of 426.44 g/mol. Its IUPAC name is N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2-fluorobenzamide
PubChem CID170647838
Molecular FormulaC23H21F3N4O
Molecular Weight426.44 g/mol
Exact Mass426.17
IUPAC NameN-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2-fluorobenzamide
SMILESN[C@@H]1CCCN(c2ccncc2NC(=O)c2cccc(-c3c(F)cccc3F)c2F)C1
InChIInChI=1S/C23H21F3N4O/c24-17-7-2-8-18(25)21(17)15-5-1-6-16(22(15)26)23(31)29-19-12-28-10-9-20(19)30-11-3-4-14(27)13-30/h1-2,5-10,12,14H,3-4,11,13,27H2,(H,29,31)/t14-/m1/s1
InChIKeyIIMNQENKFXBSBN-CQSZACIVSA-N
XLogP4.35
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2-fluorobenzamide
CID 170647601
5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 67499805
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-[2,6-difluoro-3-(propan-2-ylcarbamoyl)phenyl]-5-fluoropyridine-2-carboxamide
CID 77419911
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluoro-4-piperidin-1-ylphenyl)-2,4-difluorobenzamide
CID 169262339
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-phenylpyridine-2-carboxamide
CID 77420756
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 77420790
5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 51002498
5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluoro-3-propoxyphenyl)-1,3-thiazole-4-carboxamide
CID 51001895
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-fluoro-6-(6-methoxypyrazin-2-yl)pyridine-2-carboxamide
CID 77420717
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,5-difluoro-4-methoxyphenyl)pyridine-2-carboxamide
CID 77420647
4-[3-[[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]carbamoyl]-2,6-difluorophenyl]-3,5-difluorobenzoic acid
CID 169262239
6-(6-acetyl-2-pyridinyl)-3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 77419885

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2-fluorobenzamide?
The IUPAC name of N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2-fluorobenzamide (CID 170647838) is N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2-fluorobenzamide.
What is the SMILES notation for N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2-fluorobenzamide?
The canonical SMILES for N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2-fluorobenzamide is N[C@@H]1CCCN(c2ccncc2NC(=O)c2cccc(-c3c(F)cccc3F)c2F)C1.
What is the InChIKey of N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2-fluorobenzamide?
The InChIKey is IIMNQENKFXBSBN-CQSZACIVSA-N. The full InChI is InChI=1S/C23H21F3N4O/c24-17-7-2-8-18(25)21(17)15-5-1-6-16(22(15)26)23(31)29-19-12-28-10-9-20(19)30-11-3-4-14(27)13-30/h1-2,5-10,12,14H,3-4,11,13,27H2,(H,29,31)/t14-/m1/s1.
What are the key properties of N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2-fluorobenzamide?
N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2-fluorobenzamide has a molecular weight of 426.44 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2-fluorobenzamide is sourced from PubChem (CID 170647838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).