6-[[5-(4-methoxypiperidine-1-carbonyl)-2-pyridinyl]methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide

C26H27F3N6O3 — CID 58440174

IUPAC6-[[5-(4-methoxypiperidine-1-carbonyl)-2-pyridinyl]methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide
SMILESCOC1CCN(C(=O)c2ccc(Cc3cc(NCc4cnccc4C(F)(F)F)c(C(N)=O)cn3)nc2)CC1
InChIInChI=1S/C26H27F3N6O3/c1-38-20-5-8-35(9-6-20)25(37)16-2-3-18(32-13-16)10-19-11-23(21(15-33-19)24(30)36)34-14-17-12-31-7-4-22(17)26(27,28)29/h2-4,7,11-13,15,20H,5-6,8-10,14H2,1H3,(H2,30,36)(H,33,34)
InChIKeyJBXVXZRBNQEFBS-UHFFFAOYSA-N
MW528.54 g/mol
LogP3.44
Rot. Bonds8

About 6-[[5-(4-methoxypiperidine-1-carbonyl)-2-pyridinyl]methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide

6-[[5-(4-methoxypiperidine-1-carbonyl)-2-pyridinyl]methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide (PubChem CID 58440174) has the molecular formula C26H27F3N6O3 and a molecular weight of 528.54 g/mol. Its IUPAC name is 6-[[5-(4-methoxypiperidine-1-carbonyl)-2-pyridinyl]methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[5-(4-methoxypiperidine-1-carbonyl)-2-pyridinyl]methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide
PubChem CID58440174
Molecular FormulaC26H27F3N6O3
Molecular Weight528.54 g/mol
Exact Mass528.21
IUPAC Name6-[[5-(4-methoxypiperidine-1-carbonyl)-2-pyridinyl]methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide
SMILESCOC1CCN(C(=O)c2ccc(Cc3cc(NCc4cnccc4C(F)(F)F)c(C(N)=O)cn3)nc2)CC1
InChIInChI=1S/C26H27F3N6O3/c1-38-20-5-8-35(9-6-20)25(37)16-2-3-18(32-13-16)10-19-11-23(21(15-33-19)24(30)36)34-14-17-12-31-7-4-22(17)26(27,28)29/h2-4,7,11-13,15,20H,5-6,8-10,14H2,1H3,(H2,30,36)(H,33,34)
InChIKeyJBXVXZRBNQEFBS-UHFFFAOYSA-N
XLogP3.44
TPSA123.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.54
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[5-(4-methoxypiperidine-1-carbonyl)-2-pyridinyl]methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide with MolForge

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Related Compounds

N-{4-[(3r,4r,5s)-3-Amino-4-Hydroxy-5-Methylpiperidin-1-Yl]pyridin-3-Yl}-6-(2,6-Difluorophenyl)-5-Fluoropyridine-2-Carboxamide
CID 46179018
3-amino-N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 59226518
6-(3-Fluorophenyl)-N-[1-(2,2,2-Trifluoroethyl)piperidin-4-Yl]pyridine-3-Carboxamide
CID 24991044
methyl N-[(3R,4S,5S)-3-amino-1-[3-[[3-amino-6-[2-fluoro-5-(propan-2-ylcarbamoyl)phenyl]pyridine-2-carbonyl]amino]-4-pyridinyl]-5-methylpiperidin-4-yl]carbamate
CID 91937649
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 24894053
2-(3,4-difluorophenyl)-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 53492821
6-Phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]nicotinamide
CID 59743886
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-pyridin-4-ylpyridine-2-carboxamide
CID 68187593
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-pyridin-3-ylpyridine-2-carboxamide
CID 68187641
3-amino-N-(4-((3R,4R)-3-amino-4-hydroxy-piperidin-1-yl)pyridin-3-yl)-6-(2,6-difluorophenyl)picolinamide
CID 69042864
2-methyl-N-(4-(trifluoromethyl)phenyl)-6-(3-(trifluoromethyl)pyridin-2-yl)nicotinamide
CID 10387678
N-(3-{4-[Cyano-(2-methyl-pyridin-3-yl)-methyl]-piperazin-1-yl}-3-oxo-1-phenyl-propyl)-nicotinamide
CID 10457336

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(4-methoxypiperidine-1-carbonyl)-2-pyridinyl]methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide?
The IUPAC name of 6-[[5-(4-methoxypiperidine-1-carbonyl)-2-pyridinyl]methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide (CID 58440174) is 6-[[5-(4-methoxypiperidine-1-carbonyl)-2-pyridinyl]methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[5-(4-methoxypiperidine-1-carbonyl)-2-pyridinyl]methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide?
The canonical SMILES for 6-[[5-(4-methoxypiperidine-1-carbonyl)-2-pyridinyl]methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide is COC1CCN(C(=O)c2ccc(Cc3cc(NCc4cnccc4C(F)(F)F)c(C(N)=O)cn3)nc2)CC1.
What is the InChIKey of 6-[[5-(4-methoxypiperidine-1-carbonyl)-2-pyridinyl]methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide?
The InChIKey is JBXVXZRBNQEFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N6O3/c1-38-20-5-8-35(9-6-20)25(37)16-2-3-18(32-13-16)10-19-11-23(21(15-33-19)24(30)36)34-14-17-12-31-7-4-22(17)26(27,28)29/h2-4,7,11-13,15,20H,5-6,8-10,14H2,1H3,(H2,30,36)(H,33,34).
What are the key properties of 6-[[5-(4-methoxypiperidine-1-carbonyl)-2-pyridinyl]methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide?
6-[[5-(4-methoxypiperidine-1-carbonyl)-2-pyridinyl]methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide has a molecular weight of 528.54 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(4-methoxypiperidine-1-carbonyl)-2-pyridinyl]methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 58440174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).