N-[6-amino-4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide

C24H23F4N5O — CID 169262268

IUPACN-[6-amino-4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide
SMILESC[C@@H]1C[C@H](N)CN(c2cc(N)ncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)c2F)C1
InChIInChI=1S/C24H23F4N5O/c1-12-7-13(29)11-33(10-12)19-8-20(30)31-9-18(19)32-24(34)14-5-6-17(27)22(23(14)28)21-15(25)3-2-4-16(21)26/h2-6,8-9,12-13H,7,10-11,29H2,1H3,(H2,30,31)(H,32,34)/t12-,13+/m1/s1
InChIKeyOTEBURODQMVMIY-OLZOCXBDSA-N
MW473.47 g/mol
LogP4.31
Rot. Bonds4

About N-[6-amino-4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide

N-[6-amino-4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide (PubChem CID 169262268) has the molecular formula C24H23F4N5O and a molecular weight of 473.47 g/mol. Its IUPAC name is N-[6-amino-4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[6-amino-4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide
PubChem CID169262268
Molecular FormulaC24H23F4N5O
Molecular Weight473.47 g/mol
Exact Mass473.18
IUPAC NameN-[6-amino-4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide
SMILESC[C@@H]1C[C@H](N)CN(c2cc(N)ncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)c2F)C1
InChIInChI=1S/C24H23F4N5O/c1-12-7-13(29)11-33(10-12)19-8-20(30)31-9-18(19)32-24(34)14-5-6-17(27)22(23(14)28)21-15(25)3-2-4-16(21)26/h2-6,8-9,12-13H,7,10-11,29H2,1H3,(H2,30,31)(H,32,34)/t12-,13+/m1/s1
InChIKeyOTEBURODQMVMIY-OLZOCXBDSA-N
XLogP4.31
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.47
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-6-(hydroxymethyl)-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide
CID 169262396
3-(4-amino-2,6-difluorophenyl)-N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2,4-difluorobenzamide
CID 169262346
4-[3-[[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]carbamoyl]-2,6-difluorophenyl]-3,5-difluorobenzoic acid
CID 169262239
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-[4-(difluoromethyl)-2,6-difluorophenyl]-2,4-difluorobenzamide
CID 169262299
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluoro-4-methoxyphenyl)-2,4-difluorobenzamide;dihydrochloride
CID 169262231
methyl 4-[3-[[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]carbamoyl]-2,6-difluorophenyl]-3,5-difluorobenzoate
CID 169262368
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
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-[2,6-difluoro-4-(methanesulfonamido)phenyl]-2,4-difluorobenzamide
CID 169262224
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-[2,6-difluoro-4-(2-methylpropanoylamino)phenyl]-2,4-difluorobenzamide;dihydrochloride
CID 170318919
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-[2,6-difluoro-4-(methanesulfonamido)phenyl]-2,4-difluorobenzamide;dihydrochloride
CID 169262223
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-[2,6-difluoro-4-(triazol-1-ylmethyl)phenyl]-2,4-difluorobenzamide
CID 169262404
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]pyrimidin-5-yl]-3-(2,6-difluoro-4-methoxyphenyl)-2,4-difluorobenzamide
CID 170647683

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide?
The IUPAC name of N-[6-amino-4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide (CID 169262268) is N-[6-amino-4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide.
What is the SMILES notation for N-[6-amino-4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide?
The canonical SMILES for N-[6-amino-4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide is C[C@@H]1C[C@H](N)CN(c2cc(N)ncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)c2F)C1.
What is the InChIKey of N-[6-amino-4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide?
The InChIKey is OTEBURODQMVMIY-OLZOCXBDSA-N. The full InChI is InChI=1S/C24H23F4N5O/c1-12-7-13(29)11-33(10-12)19-8-20(30)31-9-18(19)32-24(34)14-5-6-17(27)22(23(14)28)21-15(25)3-2-4-16(21)26/h2-6,8-9,12-13H,7,10-11,29H2,1H3,(H2,30,31)(H,32,34)/t12-,13+/m1/s1.
What are the key properties of N-[6-amino-4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide?
N-[6-amino-4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide has a molecular weight of 473.47 g/mol, XLogP of 4.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2,4-difluorobenzamide is sourced from PubChem (CID 169262268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).