N-[6-methyl-5-[4-[5-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide

C29H32F3N9O — CID 70903006

IUPACN-[6-methyl-5-[4-[5-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ncc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-n1cc(-c2cncc(N(C)C3CCN(C(C)C)CC3)c2)nn1
InChIInChI=1S/C29H32F3N9O/c1-18(2)40-9-6-23(7-10-40)39(4)24-11-20(14-33-16-24)26-17-41(38-37-26)27-13-22(15-35-19(27)3)36-28(42)25-12-21(5-8-34-25)29(30,31)32/h5,8,11-18,23H,6-7,9-10H2,1-4H3,(H,36,42)
InChIKeyAFHSRIKTRFIELT-UHFFFAOYSA-N
MW579.63 g/mol
LogP5.01
Rot. Bonds7

About N-[6-methyl-5-[4-[5-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide

N-[6-methyl-5-[4-[5-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 70903006) has the molecular formula C29H32F3N9O and a molecular weight of 579.63 g/mol. Its IUPAC name is N-[6-methyl-5-[4-[5-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-methyl-5-[4-[5-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID70903006
Molecular FormulaC29H32F3N9O
Molecular Weight579.63 g/mol
Exact Mass579.27
IUPAC NameN-[6-methyl-5-[4-[5-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ncc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-n1cc(-c2cncc(N(C)C3CCN(C(C)C)CC3)c2)nn1
InChIInChI=1S/C29H32F3N9O/c1-18(2)40-9-6-23(7-10-40)39(4)24-11-20(14-33-16-24)26-17-41(38-37-26)27-13-22(15-35-19(27)3)36-28(42)25-12-21(5-8-34-25)29(30,31)32/h5,8,11-18,23H,6-7,9-10H2,1-4H3,(H,36,42)
InChIKeyAFHSRIKTRFIELT-UHFFFAOYSA-N
XLogP5.01
TPSA104.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.63
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[6-methyl-5-[4-[5-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-5-[4-[5-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-methyl-5-[4-[5-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide (CID 70903006) is N-[6-methyl-5-[4-[5-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-methyl-5-[4-[5-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-methyl-5-[4-[5-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide is Cc1ncc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-n1cc(-c2cncc(N(C)C3CCN(C(C)C)CC3)c2)nn1.
What is the InChIKey of N-[6-methyl-5-[4-[5-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is AFHSRIKTRFIELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F3N9O/c1-18(2)40-9-6-23(7-10-40)39(4)24-11-20(14-33-16-24)26-17-41(38-37-26)27-13-22(15-35-19(27)3)36-28(42)25-12-21(5-8-34-25)29(30,31)32/h5,8,11-18,23H,6-7,9-10H2,1-4H3,(H,36,42).
What are the key properties of N-[6-methyl-5-[4-[5-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-methyl-5-[4-[5-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 579.63 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-5-[4-[5-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 70903006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).