N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-1H-indole-2-carboxamide

C20H23N5O — CID 155983693

IUPACN-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-1H-indole-2-carboxamide
SMILESCc1ncc(CNC(=O)c2cc3ccccc3[nH]2)c(C2CCCN2C)n1
InChIInChI=1S/C20H23N5O/c1-13-21-11-15(19(23-13)18-8-5-9-25(18)2)12-22-20(26)17-10-14-6-3-4-7-16(14)24-17/h3-4,6-7,10-11,18,24H,5,8-9,12H2,1-2H3,(H,22,26)
InChIKeyLGDINFDITZQVKN-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.96
Rot. Bonds4

About N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-1H-indole-2-carboxamide

N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 155983693) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-1H-indole-2-carboxamide
PubChem CID155983693
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-1H-indole-2-carboxamide
SMILESCc1ncc(CNC(=O)c2cc3ccccc3[nH]2)c(C2CCCN2C)n1
InChIInChI=1S/C20H23N5O/c1-13-21-11-15(19(23-13)18-8-5-9-25(18)2)12-22-20(26)17-10-14-6-3-4-7-16(14)24-17/h3-4,6-7,10-11,18,24H,5,8-9,12H2,1-2H3,(H,22,26)
InChIKeyLGDINFDITZQVKN-UHFFFAOYSA-N
XLogP2.96
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1H-pyrazole-5-carboxamide
CID 124976141
3-fluoro-4-methyl-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide
CID 124970354
2-(3-fluorophenyl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 125008457
2-(4-chlorophenyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 125022456
5-tert-butyl-N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-1H-pyrazole-3-carboxamide
CID 110117354
N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide
CID 124947769
6-methoxy-N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]pyridine-3-carboxamide
CID 110117377
N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 124939653
N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 125019389
4-ethyl-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]thiadiazole-5-carboxamide
CID 125018109
N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 124949611
3-(1,3-dimethylpyrazol-4-yl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]propanamide
CID 124972941

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-1H-indole-2-carboxamide (CID 155983693) is N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-1H-indole-2-carboxamide is Cc1ncc(CNC(=O)c2cc3ccccc3[nH]2)c(C2CCCN2C)n1.
What is the InChIKey of N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-1H-indole-2-carboxamide?
The InChIKey is LGDINFDITZQVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-21-11-15(19(23-13)18-8-5-9-25(18)2)12-22-20(26)17-10-14-6-3-4-7-16(14)24-17/h3-4,6-7,10-11,18,24H,5,8-9,12H2,1-2H3,(H,22,26).
What are the key properties of N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-1H-indole-2-carboxamide?
N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-1H-indole-2-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 155983693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).