N-[4-(3-amino-5-propylpiperidin-1-yl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)pyridine-2-carboxamide;ethane;methanol

C29H40FN5O2 — CID 143951592

IUPACN-[4-(3-amino-5-propylpiperidin-1-yl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)pyridine-2-carboxamide;ethane;methanol
SMILESCC.CCCC1CC(N)CN(c2ccncc2NC(=O)c2cccc(-c3c(C)cccc3F)n2)C1.CO
InChIInChI=1S/C26H30FN5O.C2H6.CH4O/c1-3-6-18-13-19(28)16-32(15-18)24-11-12-29-14-23(24)31-26(33)22-10-5-9-21(30-22)25-17(2)7-4-8-20(25)27;2*1-2/h4-5,7-12,14,18-19H,3,6,13,15-16,28H2,1-2H3,(H,31,33);1-2H3;2H,1H3
InChIKeyOKUDOENHRQTRPD-UHFFFAOYSA-N
MW509.67 g/mol
LogP5.43
Rot. Bonds6

About N-[4-(3-amino-5-propylpiperidin-1-yl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)pyridine-2-carboxamide;ethane;methanol

N-[4-(3-amino-5-propylpiperidin-1-yl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)pyridine-2-carboxamide;ethane;methanol (PubChem CID 143951592) has the molecular formula C29H40FN5O2 and a molecular weight of 509.67 g/mol. Its IUPAC name is N-[4-(3-amino-5-propylpiperidin-1-yl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)pyridine-2-carboxamide;ethane;methanol.

Molecular Properties

Compound NameN-[4-(3-amino-5-propylpiperidin-1-yl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)pyridine-2-carboxamide;ethane;methanol
PubChem CID143951592
Molecular FormulaC29H40FN5O2
Molecular Weight509.67 g/mol
Exact Mass509.32
IUPAC NameN-[4-(3-amino-5-propylpiperidin-1-yl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)pyridine-2-carboxamide;ethane;methanol
SMILESCC.CCCC1CC(N)CN(c2ccncc2NC(=O)c2cccc(-c3c(C)cccc3F)n2)C1.CO
InChIInChI=1S/C26H30FN5O.C2H6.CH4O/c1-3-6-18-13-19(28)16-32(15-18)24-11-12-29-14-23(24)31-26(33)22-10-5-9-21(30-22)25-17(2)7-4-8-20(25)27;2*1-2/h4-5,7-12,14,18-19H,3,6,13,15-16,28H2,1-2H3,(H,31,33);1-2H3;2H,1H3
InChIKeyOKUDOENHRQTRPD-UHFFFAOYSA-N
XLogP5.43
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.67
LogP ≤ 55.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-fluoro-6-sulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 164928301
N-[4-[(1R,3R,4S)-3-amino-4-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-3-methylphenyl)pyridine-2-carboxamide
CID 67890626
N-[4-[(1S)-3-chloro-4-hydroxycyclohexyl]-3-pyridinyl]-6-(3-ethyl-2,6-difluorophenyl)pyridine-2-carboxamide
CID 89091551
N-[4-(3-amino-5-methylpiperidin-1-yl)-3-pyridinyl]-2-propylthieno[3,2-b]pyridine-5-carboxamide
CID 118644412
N-[4-[(3R,5S)-3,5-diaminocyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 46179581
N-[4-[3-amino-5-methyl-4-(1,2,4-triazol-1-yl)piperidin-1-yl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-6-phosphanylphenyl)pyridine-2-carboxamide
CID 123770816
2-[4-[3-amino-5-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-1-[6-(2,6-difluorophenyl)-3-fluoro-2-pyridinyl]ethanone
CID 159639493
N-[4-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2-fluorobenzamide
CID 170647601
N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)-5-methylpyridine-2-carboxamide
CID 123514253
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-cyclopropylthieno[3,2-b]pyridine-5-carboxamide
CID 118644388
(3R,5S)-5-amino-1-[3-[[2-(2,6-difluorophenyl)quinolin-8-yl]amino]-4-pyridinyl]piperidin-3-ol
CID 46186005
N-[4-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-3-(2,6-difluorophenyl)-2-fluorobenzamide
CID 170647838

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-5-propylpiperidin-1-yl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)pyridine-2-carboxamide;ethane;methanol?
The IUPAC name of N-[4-(3-amino-5-propylpiperidin-1-yl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)pyridine-2-carboxamide;ethane;methanol (CID 143951592) is N-[4-(3-amino-5-propylpiperidin-1-yl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)pyridine-2-carboxamide;ethane;methanol.
What is the SMILES notation for N-[4-(3-amino-5-propylpiperidin-1-yl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)pyridine-2-carboxamide;ethane;methanol?
The canonical SMILES for N-[4-(3-amino-5-propylpiperidin-1-yl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)pyridine-2-carboxamide;ethane;methanol is CC.CCCC1CC(N)CN(c2ccncc2NC(=O)c2cccc(-c3c(C)cccc3F)n2)C1.CO.
What is the InChIKey of N-[4-(3-amino-5-propylpiperidin-1-yl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)pyridine-2-carboxamide;ethane;methanol?
The InChIKey is OKUDOENHRQTRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O.C2H6.CH4O/c1-3-6-18-13-19(28)16-32(15-18)24-11-12-29-14-23(24)31-26(33)22-10-5-9-21(30-22)25-17(2)7-4-8-20(25)27;2*1-2/h4-5,7-12,14,18-19H,3,6,13,15-16,28H2,1-2H3,(H,31,33);1-2H3;2H,1H3.
What are the key properties of N-[4-(3-amino-5-propylpiperidin-1-yl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)pyridine-2-carboxamide;ethane;methanol?
N-[4-(3-amino-5-propylpiperidin-1-yl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)pyridine-2-carboxamide;ethane;methanol has a molecular weight of 509.67 g/mol, XLogP of 5.43, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-5-propylpiperidin-1-yl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)pyridine-2-carboxamide;ethane;methanol is sourced from PubChem (CID 143951592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).