4,4-dimethyl-N-[[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]methyl]-1H-pyrimidine-5-carboxamide

C23H25N5O — CID 175572199

IUPAC4,4-dimethyl-N-[[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]methyl]-1H-pyrimidine-5-carboxamide
SMILESCc1ccncc1-c1[nH]c2ccc(CNC(=O)C3=CNC=NC3(C)C)cc2c1C
InChIInChI=1S/C23H25N5O/c1-14-7-8-24-11-18(14)21-15(2)17-9-16(5-6-20(17)28-21)10-26-22(29)19-12-25-13-27-23(19,3)4/h5-9,11-13,28H,10H2,1-4H3,(H,25,27)(H,26,29)
InChIKeyYEPWNTCZBRSPGK-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.76
Rot. Bonds4

About 4,4-dimethyl-N-[[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]methyl]-1H-pyrimidine-5-carboxamide

4,4-dimethyl-N-[[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]methyl]-1H-pyrimidine-5-carboxamide (PubChem CID 175572199) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 4,4-dimethyl-N-[[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]methyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4,4-dimethyl-N-[[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]methyl]-1H-pyrimidine-5-carboxamide
PubChem CID175572199
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name4,4-dimethyl-N-[[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]methyl]-1H-pyrimidine-5-carboxamide
SMILESCc1ccncc1-c1[nH]c2ccc(CNC(=O)C3=CNC=NC3(C)C)cc2c1C
InChIInChI=1S/C23H25N5O/c1-14-7-8-24-11-18(14)21-15(2)17-9-16(5-6-20(17)28-21)10-26-22(29)19-12-25-13-27-23(19,3)4/h5-9,11-13,28H,10H2,1-4H3,(H,25,27)(H,26,29)
InChIKeyYEPWNTCZBRSPGK-UHFFFAOYSA-N
XLogP3.76
TPSA82.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4,4-dimethyl-N-[[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]methyl]-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

3-methyl-2-(4-methyl-3-pyridinyl)-1H-indole-5-carboxamide
CID 176886851
2-[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]pyrimidine-5-carboxamide
CID 176886850
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
CID 26390650
N-[[2-[2-[(dimethylamino)methyl]phenyl]-3-methyl-1H-indol-5-yl]methyl]-3-methylpyridazine-4-carboxamide;molecular hydrogen
CID 156814190
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-5-phenyl-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060903
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 25487904
N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 56865929
N-[[2-(4-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 56868490
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 56862846
3-(aminomethyl)-N-[(3,4-dichlorophenyl)methyl]-5-(4-methyl-3-pyridinyl)benzamide
CID 146371044
1-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-(6-pyridin-3-yloxy-3-pyridinyl)urea
CID 166188155
1-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-[(2-pyrazol-1-yl-3-pyridinyl)methyl]urea
CID 47080000

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]methyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of 4,4-dimethyl-N-[[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]methyl]-1H-pyrimidine-5-carboxamide (CID 175572199) is 4,4-dimethyl-N-[[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]methyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 4,4-dimethyl-N-[[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]methyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 4,4-dimethyl-N-[[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]methyl]-1H-pyrimidine-5-carboxamide is Cc1ccncc1-c1[nH]c2ccc(CNC(=O)C3=CNC=NC3(C)C)cc2c1C.
What is the InChIKey of 4,4-dimethyl-N-[[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]methyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is YEPWNTCZBRSPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-14-7-8-24-11-18(14)21-15(2)17-9-16(5-6-20(17)28-21)10-26-22(29)19-12-25-13-27-23(19,3)4/h5-9,11-13,28H,10H2,1-4H3,(H,25,27)(H,26,29).
What are the key properties of 4,4-dimethyl-N-[[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]methyl]-1H-pyrimidine-5-carboxamide?
4,4-dimethyl-N-[[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]methyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 3.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[[3-methyl-2-(4-methyl-3-pyridinyl)-1H-indol-5-yl]methyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 175572199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).