2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide

C34H42F3N7O3 — CID 44625596

IUPAC2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1-c1ccc(C(=O)NCC2CCN(C(C)C)CC2)c(N2CCCC(Nc3ccc(C(=O)C(F)(F)F)c(N)n3)C2)n1
InChIInChI=1S/C34H42F3N7O3/c1-21(2)43-17-14-22(15-18-43)19-39-33(46)26-10-12-27(24-8-4-5-9-28(24)47-3)41-32(26)44-16-6-7-23(20-44)40-29-13-11-25(31(38)42-29)30(45)34(35,36)37/h4-5,8-13,21-23H,6-7,14-20H2,1-3H3,(H,39,46)(H3,38,40,42)
InChIKeyDCCUTPFVXHHIRC-UHFFFAOYSA-N
MW653.75 g/mol
LogP5.41
Rot. Bonds10

About 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide

2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 44625596) has the molecular formula C34H42F3N7O3 and a molecular weight of 653.75 g/mol. Its IUPAC name is 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide
PubChem CID44625596
Molecular FormulaC34H42F3N7O3
Molecular Weight653.75 g/mol
Exact Mass653.33
IUPAC Name2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1-c1ccc(C(=O)NCC2CCN(C(C)C)CC2)c(N2CCCC(Nc3ccc(C(=O)C(F)(F)F)c(N)n3)C2)n1
InChIInChI=1S/C34H42F3N7O3/c1-21(2)43-17-14-22(15-18-43)19-39-33(46)26-10-12-27(24-8-4-5-9-28(24)47-3)41-32(26)44-16-6-7-23(20-44)40-29-13-11-25(31(38)42-29)30(45)34(35,36)37/h4-5,8-13,21-23H,6-7,14-20H2,1-3H3,(H,39,46)(H3,38,40,42)
InChIKeyDCCUTPFVXHHIRC-UHFFFAOYSA-N
XLogP5.41
TPSA125.71 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.75
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide (CID 44625596) is 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide is COc1ccccc1-c1ccc(C(=O)NCC2CCN(C(C)C)CC2)c(N2CCCC(Nc3ccc(C(=O)C(F)(F)F)c(N)n3)C2)n1.
What is the InChIKey of 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is DCCUTPFVXHHIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42F3N7O3/c1-21(2)43-17-14-22(15-18-43)19-39-33(46)26-10-12-27(24-8-4-5-9-28(24)47-3)41-32(26)44-16-6-7-23(20-44)40-29-13-11-25(31(38)42-29)30(45)34(35,36)37/h4-5,8-13,21-23H,6-7,14-20H2,1-3H3,(H,39,46)(H3,38,40,42).
What are the key properties of 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide?
2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 653.75 g/mol, XLogP of 5.41, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[6-amino-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(2-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 44625596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).