N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-6-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxamide

C21H25F3N6O3S — CID 167035295

IUPACN-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-6-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxamide
SMILESCc1nc(C(=O)NCc2cc(NS(=O)(=O)C3CC3)ccn2)cnc1N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C21H25F3N6O3S/c1-13-19(30-8-2-3-14(12-30)21(22,23)24)26-11-18(28-13)20(31)27-10-16-9-15(6-7-25-16)29-34(32,33)17-4-5-17/h6-7,9,11,14,17H,2-5,8,10,12H2,1H3,(H,25,29)(H,27,31)/t14-/m1/s1
InChIKeyFKJFAHWADXOPAM-CQSZACIVSA-N
MW498.53 g/mol
LogP2.79
Rot. Bonds7

About N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-6-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxamide

N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-6-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxamide (PubChem CID 167035295) has the molecular formula C21H25F3N6O3S and a molecular weight of 498.53 g/mol. Its IUPAC name is N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-6-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-6-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxamide
PubChem CID167035295
Molecular FormulaC21H25F3N6O3S
Molecular Weight498.53 g/mol
Exact Mass498.17
IUPAC NameN-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-6-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxamide
SMILESCc1nc(C(=O)NCc2cc(NS(=O)(=O)C3CC3)ccn2)cnc1N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C21H25F3N6O3S/c1-13-19(30-8-2-3-14(12-30)21(22,23)24)26-11-18(28-13)20(31)27-10-16-9-15(6-7-25-16)29-34(32,33)17-4-5-17/h6-7,9,11,14,17H,2-5,8,10,12H2,1H3,(H,25,29)(H,27,31)/t14-/m1/s1
InChIKeyFKJFAHWADXOPAM-CQSZACIVSA-N
XLogP2.79
TPSA117.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.53
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-6-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-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 N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-6-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-6-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxamide (CID 167035295) is N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-6-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-6-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-6-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxamide is Cc1nc(C(=O)NCc2cc(NS(=O)(=O)C3CC3)ccn2)cnc1N1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-6-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxamide?
The InChIKey is FKJFAHWADXOPAM-CQSZACIVSA-N. The full InChI is InChI=1S/C21H25F3N6O3S/c1-13-19(30-8-2-3-14(12-30)21(22,23)24)26-11-18(28-13)20(31)27-10-16-9-15(6-7-25-16)29-34(32,33)17-4-5-17/h6-7,9,11,14,17H,2-5,8,10,12H2,1H3,(H,25,29)(H,27,31)/t14-/m1/s1.
What are the key properties of N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-6-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxamide?
N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-6-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 498.53 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-6-methyl-5-[(3R)-3-(trifluoromethyl)piperidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 167035295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).