4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-N-ethylpyrimidine-5-carboxamide

C26H31N7O2 — CID 142557337

IUPAC4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-N-ethylpyrimidine-5-carboxamide
SMILESCCNC(=O)c1cnc(Nc2ccc3c(c2)NC(=O)C3(C)C)nc1Nc1cccc(C(C)(C)C)n1
InChIInChI=1S/C26H31N7O2/c1-7-27-22(34)16-14-28-24(29-15-11-12-17-18(13-15)30-23(35)26(17,5)6)33-21(16)32-20-10-8-9-19(31-20)25(2,3)4/h8-14H,7H2,1-6H3,(H,27,34)(H,30,35)(H2,28,29,31,32,33)
InChIKeyGQQVPUZPXUSOLE-UHFFFAOYSA-N
MW473.58 g/mol
LogP4.64
Rot. Bonds6

About 4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-N-ethylpyrimidine-5-carboxamide

4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-N-ethylpyrimidine-5-carboxamide (PubChem CID 142557337) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-N-ethylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-N-ethylpyrimidine-5-carboxamide
PubChem CID142557337
Molecular FormulaC26H31N7O2
Molecular Weight473.58 g/mol
Exact Mass473.25
IUPAC Name4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-N-ethylpyrimidine-5-carboxamide
SMILESCCNC(=O)c1cnc(Nc2ccc3c(c2)NC(=O)C3(C)C)nc1Nc1cccc(C(C)(C)C)n1
InChIInChI=1S/C26H31N7O2/c1-7-27-22(34)16-14-28-24(29-15-11-12-17-18(13-15)30-23(35)26(17,5)6)33-21(16)32-20-10-8-9-19(31-20)25(2,3)4/h8-14H,7H2,1-6H3,(H,27,34)(H,30,35)(H2,28,29,31,32,33)
InChIKeyGQQVPUZPXUSOLE-UHFFFAOYSA-N
XLogP4.64
TPSA120.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 54.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-N-ethylpyrimidine-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-[(6-tert-butyl-2-pyridinyl)amino]-N-ethyl-2-[(8-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]pyrimidine-5-carboxamide
CID 142557195
4-[(6-tert-butyl-2-pyridinyl)amino]-N-(cyclobutylmethyl)-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 142557484
1-(6-tert-butyl-2-pyridinyl)-6-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one
CID 138537232
4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 138554147
N-ethyl-4-[[6-[1-(fluoromethyl)cyclopropyl]-2-pyridinyl]amino]-2-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrimidine-5-carboxamide
CID 176966927
N-ethyl-4-[(6-propan-2-yloxy-2-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 142557620
2-[(4,4-difluoro-2-methyl-1,3-dihydroisoquinolin-7-yl)amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide
CID 137472173
4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-N-[(1-methylpiperidin-4-yl)methyl]-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 138554048
4-[(6-cyclopropyloxy-2-pyridinyl)amino]-N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 142557902
N-cyclopropyl-4-[[6-(2-fluoropropan-2-yl)-2-pyridinyl]amino]-2-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrimidine-5-carboxamide
CID 138553940
N-cyclopropyl-4-[[6-(1-hydroxy-2-methylpropan-2-yl)-2-pyridinyl]amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 142557605
2-[[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-6-yl]amino]-4-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-N-prop-2-enylpyrimidine-5-carboxamide
CID 142525273

Frequently Asked Questions

What is the IUPAC name of 4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-N-ethylpyrimidine-5-carboxamide?
The IUPAC name of 4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-N-ethylpyrimidine-5-carboxamide (CID 142557337) is 4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-N-ethylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-N-ethylpyrimidine-5-carboxamide?
The canonical SMILES for 4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-N-ethylpyrimidine-5-carboxamide is CCNC(=O)c1cnc(Nc2ccc3c(c2)NC(=O)C3(C)C)nc1Nc1cccc(C(C)(C)C)n1.
What is the InChIKey of 4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-N-ethylpyrimidine-5-carboxamide?
The InChIKey is GQQVPUZPXUSOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2/c1-7-27-22(34)16-14-28-24(29-15-11-12-17-18(13-15)30-23(35)26(17,5)6)33-21(16)32-20-10-8-9-19(31-20)25(2,3)4/h8-14H,7H2,1-6H3,(H,27,34)(H,30,35)(H2,28,29,31,32,33).
What are the key properties of 4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-N-ethylpyrimidine-5-carboxamide?
4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-N-ethylpyrimidine-5-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 4.64, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-tert-butyl-2-pyridinyl)amino]-2-[(3,3-dimethyl-2-oxo-1H-indol-6-yl)amino]-N-ethylpyrimidine-5-carboxamide is sourced from PubChem (CID 142557337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).