N-methyl-N-phenyl-4-pyrimidin-5-yl-1H-indole-2-carboxamide

C20H16N4O — CID 44527613

IUPACN-methyl-N-phenyl-4-pyrimidin-5-yl-1H-indole-2-carboxamide
SMILESCN(C(=O)c1cc2c(-c3cncnc3)cccc2[nH]1)c1ccccc1
InChIInChI=1S/C20H16N4O/c1-24(15-6-3-2-4-7-15)20(25)19-10-17-16(8-5-9-18(17)23-19)14-11-21-13-22-12-14/h2-13,23H,1H3
InChIKeyCILBGWDTLFTXPJ-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.90
Rot. Bonds3

About N-methyl-N-phenyl-4-pyrimidin-5-yl-1H-indole-2-carboxamide

N-methyl-N-phenyl-4-pyrimidin-5-yl-1H-indole-2-carboxamide (PubChem CID 44527613) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-methyl-N-phenyl-4-pyrimidin-5-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-4-pyrimidin-5-yl-1H-indole-2-carboxamide
PubChem CID44527613
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC NameN-methyl-N-phenyl-4-pyrimidin-5-yl-1H-indole-2-carboxamide
SMILESCN(C(=O)c1cc2c(-c3cncnc3)cccc2[nH]1)c1ccccc1
InChIInChI=1S/C20H16N4O/c1-24(15-6-3-2-4-7-15)20(25)19-10-17-16(8-5-9-18(17)23-19)14-11-21-13-22-12-14/h2-13,23H,1H3
InChIKeyCILBGWDTLFTXPJ-UHFFFAOYSA-N
XLogP3.90
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-4-pyrimidin-5-yl-1H-indole-2-carboxamide?
The IUPAC name of N-methyl-N-phenyl-4-pyrimidin-5-yl-1H-indole-2-carboxamide (CID 44527613) is N-methyl-N-phenyl-4-pyrimidin-5-yl-1H-indole-2-carboxamide.
What is the SMILES notation for N-methyl-N-phenyl-4-pyrimidin-5-yl-1H-indole-2-carboxamide?
The canonical SMILES for N-methyl-N-phenyl-4-pyrimidin-5-yl-1H-indole-2-carboxamide is CN(C(=O)c1cc2c(-c3cncnc3)cccc2[nH]1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-4-pyrimidin-5-yl-1H-indole-2-carboxamide?
The InChIKey is CILBGWDTLFTXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-24(15-6-3-2-4-7-15)20(25)19-10-17-16(8-5-9-18(17)23-19)14-11-21-13-22-12-14/h2-13,23H,1H3.
What are the key properties of N-methyl-N-phenyl-4-pyrimidin-5-yl-1H-indole-2-carboxamide?
N-methyl-N-phenyl-4-pyrimidin-5-yl-1H-indole-2-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-4-pyrimidin-5-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 44527613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).