N,N,7-trimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide

C21H20N6O — CID 71233732

IUPACN,N,7-trimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide
SMILESCc1cc(Nc2nccc(-c3ccccn3)n2)cc2cc(C(=O)N(C)C)[nH]c12
InChIInChI=1S/C21H20N6O/c1-13-10-15(11-14-12-18(25-19(13)14)20(28)27(2)3)24-21-23-9-7-17(26-21)16-6-4-5-8-22-16/h4-12,25H,1-3H3,(H,23,24,26)
InChIKeyQJWUUVWXDVBNPQ-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.77
Rot. Bonds4

About N,N,7-trimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide

N,N,7-trimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide (PubChem CID 71233732) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is N,N,7-trimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN,N,7-trimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide
PubChem CID71233732
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC NameN,N,7-trimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide
SMILESCc1cc(Nc2nccc(-c3ccccn3)n2)cc2cc(C(=O)N(C)C)[nH]c12
InChIInChI=1S/C21H20N6O/c1-13-10-15(11-14-12-18(25-19(13)14)20(28)27(2)3)24-21-23-9-7-17(26-21)16-6-4-5-8-22-16/h4-12,25H,1-3H3,(H,23,24,26)
InChIKeyQJWUUVWXDVBNPQ-UHFFFAOYSA-N
XLogP3.77
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]amino]-N,N,7-trimethyl-1H-indole-2-carboxamide
CID 71233770
1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]propan-1-one
CID 153235210
[7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 71233748
7-bromo-N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide;ethylboronic acid;7-ethyl-N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide
CID 157370546
[7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-(diazinan-1-yl)methanone
CID 71233785
5-[[4-[4-(1,1-difluoroethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide
CID 71233777
7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-methyl-2H-pyrrol-3-yl)methyl]-1H-indole-2-carboxamide
CID 148886269
[7-chloro-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]-(methylamino)methanol
CID 123249748
(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone
CID 78043501
[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone
CID 71233665
N-(2,4-dimethylphenyl)-4-pyridin-2-ylpyrimidin-2-amine
CID 14347083
N-(2,5-dimethylphenyl)-4-pyridin-2-ylpyrimidin-2-amine
CID 14347047

Frequently Asked Questions

What is the IUPAC name of N,N,7-trimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide?
The IUPAC name of N,N,7-trimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide (CID 71233732) is N,N,7-trimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide.
What is the SMILES notation for N,N,7-trimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide?
The canonical SMILES for N,N,7-trimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide is Cc1cc(Nc2nccc(-c3ccccn3)n2)cc2cc(C(=O)N(C)C)[nH]c12.
What is the InChIKey of N,N,7-trimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide?
The InChIKey is QJWUUVWXDVBNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-13-10-15(11-14-12-18(25-19(13)14)20(28)27(2)3)24-21-23-9-7-17(26-21)16-6-4-5-8-22-16/h4-12,25H,1-3H3,(H,23,24,26).
What are the key properties of N,N,7-trimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide?
N,N,7-trimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,7-trimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide is sourced from PubChem (CID 71233732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).