N,N-dimethyl-3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindole-5-carboxamide

C22H21N5O3S — CID 137367814

IUPACN,N-dimethyl-3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindole-5-carboxamide
SMILESCc1ccnc(-c2cnc(-c3cn(S(C)(=O)=O)c4ccc(C(=O)N(C)C)cc34)nc2)c1
InChIInChI=1S/C22H21N5O3S/c1-14-7-8-23-19(9-14)16-11-24-21(25-12-16)18-13-27(31(4,29)30)20-6-5-15(10-17(18)20)22(28)26(2)3/h5-13H,1-4H3
InChIKeyMTUKFRVVZDVZJC-UHFFFAOYSA-N
MW435.51 g/mol
LogP2.98
Rot. Bonds4

About N,N-dimethyl-3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindole-5-carboxamide

N,N-dimethyl-3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindole-5-carboxamide (PubChem CID 137367814) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is N,N-dimethyl-3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindole-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindole-5-carboxamide
PubChem CID137367814
Molecular FormulaC22H21N5O3S
Molecular Weight435.51 g/mol
Exact Mass435.14
IUPAC NameN,N-dimethyl-3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindole-5-carboxamide
SMILESCc1ccnc(-c2cnc(-c3cn(S(C)(=O)=O)c4ccc(C(=O)N(C)C)cc34)nc2)c1
InChIInChI=1S/C22H21N5O3S/c1-14-7-8-23-19(9-14)16-11-24-21(25-12-16)18-13-27(31(4,29)30)20-6-5-15(10-17(18)20)22(28)26(2)3/h5-13H,1-4H3
InChIKeyMTUKFRVVZDVZJC-UHFFFAOYSA-N
XLogP2.98
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindole-5-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,N-dimethyl-3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindole-5-carboxamide?
The IUPAC name of N,N-dimethyl-3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindole-5-carboxamide (CID 137367814) is N,N-dimethyl-3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindole-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindole-5-carboxamide?
The canonical SMILES for N,N-dimethyl-3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindole-5-carboxamide is Cc1ccnc(-c2cnc(-c3cn(S(C)(=O)=O)c4ccc(C(=O)N(C)C)cc34)nc2)c1.
What is the InChIKey of N,N-dimethyl-3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindole-5-carboxamide?
The InChIKey is MTUKFRVVZDVZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S/c1-14-7-8-23-19(9-14)16-11-24-21(25-12-16)18-13-27(31(4,29)30)20-6-5-15(10-17(18)20)22(28)26(2)3/h5-13H,1-4H3.
What are the key properties of N,N-dimethyl-3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindole-5-carboxamide?
N,N-dimethyl-3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindole-5-carboxamide has a molecular weight of 435.51 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[5-(4-methyl-2-pyridinyl)pyrimidin-2-yl]-1-methylsulfonylindole-5-carboxamide is sourced from PubChem (CID 137367814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).