4-(3-amino-5-methylpiperidin-1-yl)-N-[[6-(2,6-difluoro-4-methylphenyl)-5-fluoro-2-pyridinyl]methyl]pyridin-3-amine

C24H26F3N5 — CID 145199425

IUPAC4-(3-amino-5-methylpiperidin-1-yl)-N-[[6-(2,6-difluoro-4-methylphenyl)-5-fluoro-2-pyridinyl]methyl]pyridin-3-amine
SMILESCc1cc(F)c(-c2nc(CNc3cnccc3N3CC(C)CC(N)C3)ccc2F)c(F)c1
InChIInChI=1S/C24H26F3N5/c1-14-8-19(26)23(20(27)9-14)24-18(25)4-3-17(31-24)10-30-21-11-29-6-5-22(21)32-12-15(2)7-16(28)13-32/h3-6,8-9,11,15-16,30H,7,10,12-13,28H2,1-2H3
InChIKeyFBGKLMKYDWDHFV-UHFFFAOYSA-N
MW441.50 g/mol
LogP4.65
Rot. Bonds5

About 4-(3-amino-5-methylpiperidin-1-yl)-N-[[6-(2,6-difluoro-4-methylphenyl)-5-fluoro-2-pyridinyl]methyl]pyridin-3-amine

4-(3-amino-5-methylpiperidin-1-yl)-N-[[6-(2,6-difluoro-4-methylphenyl)-5-fluoro-2-pyridinyl]methyl]pyridin-3-amine (PubChem CID 145199425) has the molecular formula C24H26F3N5 and a molecular weight of 441.50 g/mol. Its IUPAC name is 4-(3-amino-5-methylpiperidin-1-yl)-N-[[6-(2,6-difluoro-4-methylphenyl)-5-fluoro-2-pyridinyl]methyl]pyridin-3-amine.

Molecular Properties

Compound Name4-(3-amino-5-methylpiperidin-1-yl)-N-[[6-(2,6-difluoro-4-methylphenyl)-5-fluoro-2-pyridinyl]methyl]pyridin-3-amine
PubChem CID145199425
Molecular FormulaC24H26F3N5
Molecular Weight441.50 g/mol
Exact Mass441.21
IUPAC Name4-(3-amino-5-methylpiperidin-1-yl)-N-[[6-(2,6-difluoro-4-methylphenyl)-5-fluoro-2-pyridinyl]methyl]pyridin-3-amine
SMILESCc1cc(F)c(-c2nc(CNc3cnccc3N3CC(C)CC(N)C3)ccc2F)c(F)c1
InChIInChI=1S/C24H26F3N5/c1-14-8-19(26)23(20(27)9-14)24-18(25)4-3-17(31-24)10-30-21-11-29-6-5-22(21)32-12-15(2)7-16(28)13-32/h3-6,8-9,11,15-16,30H,7,10,12-13,28H2,1-2H3
InChIKeyFBGKLMKYDWDHFV-UHFFFAOYSA-N
XLogP4.65
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-amino-5-methylpiperidin-1-yl)-N-[[6-(4-cyclobutyl-2,6-difluorophenyl)-5-fluoro-2-pyridinyl]methyl]pyridin-3-amine;1,1-difluoro-3-methylcyclobutane
CID 145199507
(3S,5R)-1-[3-[2-[6-(2,6-difluoro-4-propylphenyl)-5-fluoro-2-pyridinyl]ethyl]-4-pyridinyl]-5-methylpiperidin-3-amine
CID 153220275
tert-butyl N-[1-[3-[[6-[2,6-difluoro-4-(3-hydroxyoxolan-3-yl)phenyl]-5-fluoro-2-pyridinyl]methylamino]-4-pyridinyl]-5-methylpiperidin-3-yl]carbamate
CID 145199454
(3R)-1-[[4-[6-[2-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-fluoro-2-pyridinyl]-3,5-difluorophenyl]methyl]pyrrolidin-3-ol
CID 158913854
3-(4-amino-2,6-difluorophenyl)-N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2,4-difluorobenzamide
CID 169262346
tert-butyl N-[(3R,4R,5S)-1-[3-[[6-[4-(2-cyanopropan-2-yl)-2,6-difluorophenyl]-5-fluoro-2-pyridinyl]methylamino]-4-pyridinyl]-4-hydroxy-5-methylpiperidin-3-yl]carbamate
CID 129206761
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-(triazol-1-ylmethyl)phenyl]-2,4-difluorobenzamide
CID 169262404
tert-butyl N-[(3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[3-[[6-[2,6-difluoro-4-(hydroxymethyl)phenyl]-5-fluoro-2-pyridinyl]methylamino]-4-pyridinyl]-5-methylpiperidin-3-yl]carbamate
CID 140763593

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5-methylpiperidin-1-yl)-N-[[6-(2,6-difluoro-4-methylphenyl)-5-fluoro-2-pyridinyl]methyl]pyridin-3-amine?
The IUPAC name of 4-(3-amino-5-methylpiperidin-1-yl)-N-[[6-(2,6-difluoro-4-methylphenyl)-5-fluoro-2-pyridinyl]methyl]pyridin-3-amine (CID 145199425) is 4-(3-amino-5-methylpiperidin-1-yl)-N-[[6-(2,6-difluoro-4-methylphenyl)-5-fluoro-2-pyridinyl]methyl]pyridin-3-amine.
What is the SMILES notation for 4-(3-amino-5-methylpiperidin-1-yl)-N-[[6-(2,6-difluoro-4-methylphenyl)-5-fluoro-2-pyridinyl]methyl]pyridin-3-amine?
The canonical SMILES for 4-(3-amino-5-methylpiperidin-1-yl)-N-[[6-(2,6-difluoro-4-methylphenyl)-5-fluoro-2-pyridinyl]methyl]pyridin-3-amine is Cc1cc(F)c(-c2nc(CNc3cnccc3N3CC(C)CC(N)C3)ccc2F)c(F)c1.
What is the InChIKey of 4-(3-amino-5-methylpiperidin-1-yl)-N-[[6-(2,6-difluoro-4-methylphenyl)-5-fluoro-2-pyridinyl]methyl]pyridin-3-amine?
The InChIKey is FBGKLMKYDWDHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5/c1-14-8-19(26)23(20(27)9-14)24-18(25)4-3-17(31-24)10-30-21-11-29-6-5-22(21)32-12-15(2)7-16(28)13-32/h3-6,8-9,11,15-16,30H,7,10,12-13,28H2,1-2H3.
What are the key properties of 4-(3-amino-5-methylpiperidin-1-yl)-N-[[6-(2,6-difluoro-4-methylphenyl)-5-fluoro-2-pyridinyl]methyl]pyridin-3-amine?
4-(3-amino-5-methylpiperidin-1-yl)-N-[[6-(2,6-difluoro-4-methylphenyl)-5-fluoro-2-pyridinyl]methyl]pyridin-3-amine has a molecular weight of 441.50 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-5-methylpiperidin-1-yl)-N-[[6-(2,6-difluoro-4-methylphenyl)-5-fluoro-2-pyridinyl]methyl]pyridin-3-amine is sourced from PubChem (CID 145199425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).