N-[3-[(3-amino-4,4-difluoropiperidin-1-yl)methyl]-5-(6-methyl-3-pyridinyl)phenyl]-4-(4-hydroxyphenyl)pyridine-2-carboxamide

C30H29F2N5O2 — CID 164543661

IUPACN-[3-[(3-amino-4,4-difluoropiperidin-1-yl)methyl]-5-(6-methyl-3-pyridinyl)phenyl]-4-(4-hydroxyphenyl)pyridine-2-carboxamide
SMILESCc1ccc(-c2cc(CN3CCC(F)(F)C(N)C3)cc(NC(=O)c3cc(-c4ccc(O)cc4)ccn3)c2)cn1
InChIInChI=1S/C30H29F2N5O2/c1-19-2-3-23(16-35-19)24-12-20(17-37-11-9-30(31,32)28(33)18-37)13-25(14-24)36-29(39)27-15-22(8-10-34-27)21-4-6-26(38)7-5-21/h2-8,10,12-16,28,38H,9,11,17-18,33H2,1H3,(H,36,39)
InChIKeyAXVULWLAQXWEJO-UHFFFAOYSA-N
MW529.59 g/mol
LogP5.25
Rot. Bonds6

About N-[3-[(3-amino-4,4-difluoropiperidin-1-yl)methyl]-5-(6-methyl-3-pyridinyl)phenyl]-4-(4-hydroxyphenyl)pyridine-2-carboxamide

N-[3-[(3-amino-4,4-difluoropiperidin-1-yl)methyl]-5-(6-methyl-3-pyridinyl)phenyl]-4-(4-hydroxyphenyl)pyridine-2-carboxamide (PubChem CID 164543661) has the molecular formula C30H29F2N5O2 and a molecular weight of 529.59 g/mol. Its IUPAC name is N-[3-[(3-amino-4,4-difluoropiperidin-1-yl)methyl]-5-(6-methyl-3-pyridinyl)phenyl]-4-(4-hydroxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-amino-4,4-difluoropiperidin-1-yl)methyl]-5-(6-methyl-3-pyridinyl)phenyl]-4-(4-hydroxyphenyl)pyridine-2-carboxamide
PubChem CID164543661
Molecular FormulaC30H29F2N5O2
Molecular Weight529.59 g/mol
Exact Mass529.23
IUPAC NameN-[3-[(3-amino-4,4-difluoropiperidin-1-yl)methyl]-5-(6-methyl-3-pyridinyl)phenyl]-4-(4-hydroxyphenyl)pyridine-2-carboxamide
SMILESCc1ccc(-c2cc(CN3CCC(F)(F)C(N)C3)cc(NC(=O)c3cc(-c4ccc(O)cc4)ccn3)c2)cn1
InChIInChI=1S/C30H29F2N5O2/c1-19-2-3-23(16-35-19)24-12-20(17-37-11-9-30(31,32)28(33)18-37)13-25(14-24)36-29(39)27-15-22(8-10-34-27)21-4-6-26(38)7-5-21/h2-8,10,12-16,28,38H,9,11,17-18,33H2,1H3,(H,36,39)
InChIKeyAXVULWLAQXWEJO-UHFFFAOYSA-N
XLogP5.25
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.59
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6'-amino-4'-ethyl-5'-(4-hydroxyphenyl)-N-methyl-[3,3'-bipyridine]-6-carboxamide
CID 122531750
4-{4-[3-(5-Carbamimidoyl-2-hydroxy-phenyl)-allylcarbamoyl]-phenyl}-pyridine-2-carboxylic acid amide
CID 135404951
(2S)-2-amino-N-[(4R)-1-benzoyl-6-(quinolin-3-ylmethyl)-3,4-dihydro-2H-quinolin-4-yl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide;2,2,2-trifluoroacetic acid
CID 155551873
N-[2-[[1-[4-(5-hydroxypyridin-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 46947816
N-[4-[(1R,3R,5S)-3-amino-5-(trifluoromethyl)cyclohexyl]pyridin-3-yl]-6-(2,6-difluoro-4-methoxyphenyl)pyridine-2-carboxamide
CID 46178529
N-[4-[(1R,5R)-5-amino-3,3-dimethylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-methoxyphenyl)-5-fluoropyridine-2-carboxamide
CID 46178612
N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxamide
CID 46178613
N-(4-((1R,3S,5S)-3-amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropicolinamide
CID 46179015
N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide
CID 46179100
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide
CID 46179299
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-methoxyphenyl)pyridine-2-carboxamide
CID 46179394
N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide
CID 59226456

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-amino-4,4-difluoropiperidin-1-yl)methyl]-5-(6-methyl-3-pyridinyl)phenyl]-4-(4-hydroxyphenyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-[(3-amino-4,4-difluoropiperidin-1-yl)methyl]-5-(6-methyl-3-pyridinyl)phenyl]-4-(4-hydroxyphenyl)pyridine-2-carboxamide (CID 164543661) is N-[3-[(3-amino-4,4-difluoropiperidin-1-yl)methyl]-5-(6-methyl-3-pyridinyl)phenyl]-4-(4-hydroxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(3-amino-4,4-difluoropiperidin-1-yl)methyl]-5-(6-methyl-3-pyridinyl)phenyl]-4-(4-hydroxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-[(3-amino-4,4-difluoropiperidin-1-yl)methyl]-5-(6-methyl-3-pyridinyl)phenyl]-4-(4-hydroxyphenyl)pyridine-2-carboxamide is Cc1ccc(-c2cc(CN3CCC(F)(F)C(N)C3)cc(NC(=O)c3cc(-c4ccc(O)cc4)ccn3)c2)cn1.
What is the InChIKey of N-[3-[(3-amino-4,4-difluoropiperidin-1-yl)methyl]-5-(6-methyl-3-pyridinyl)phenyl]-4-(4-hydroxyphenyl)pyridine-2-carboxamide?
The InChIKey is AXVULWLAQXWEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F2N5O2/c1-19-2-3-23(16-35-19)24-12-20(17-37-11-9-30(31,32)28(33)18-37)13-25(14-24)36-29(39)27-15-22(8-10-34-27)21-4-6-26(38)7-5-21/h2-8,10,12-16,28,38H,9,11,17-18,33H2,1H3,(H,36,39).
What are the key properties of N-[3-[(3-amino-4,4-difluoropiperidin-1-yl)methyl]-5-(6-methyl-3-pyridinyl)phenyl]-4-(4-hydroxyphenyl)pyridine-2-carboxamide?
N-[3-[(3-amino-4,4-difluoropiperidin-1-yl)methyl]-5-(6-methyl-3-pyridinyl)phenyl]-4-(4-hydroxyphenyl)pyridine-2-carboxamide has a molecular weight of 529.59 g/mol, XLogP of 5.25, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-amino-4,4-difluoropiperidin-1-yl)methyl]-5-(6-methyl-3-pyridinyl)phenyl]-4-(4-hydroxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 164543661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).