N-cyclopropyl-6-methyl-7-oxo-4-(2-phenylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C20H21N3O2 — CID 174232246

IUPACN-cyclopropyl-6-methyl-7-oxo-4-(2-phenylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCn1cc(CCc2ccccc2)c2cc(C(=O)NC3CC3)[nH]c2c1=O
InChIInChI=1S/C20H21N3O2/c1-23-12-14(8-7-13-5-3-2-4-6-13)16-11-17(22-18(16)20(23)25)19(24)21-15-9-10-15/h2-6,11-12,15,22H,7-10H2,1H3,(H,21,24)
InChIKeyMFDDVYIZMOWXCV-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.54
Rot. Bonds5

About N-cyclopropyl-6-methyl-7-oxo-4-(2-phenylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

N-cyclopropyl-6-methyl-7-oxo-4-(2-phenylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 174232246) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-cyclopropyl-6-methyl-7-oxo-4-(2-phenylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-methyl-7-oxo-4-(2-phenylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID174232246
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-cyclopropyl-6-methyl-7-oxo-4-(2-phenylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCn1cc(CCc2ccccc2)c2cc(C(=O)NC3CC3)[nH]c2c1=O
InChIInChI=1S/C20H21N3O2/c1-23-12-14(8-7-13-5-3-2-4-6-13)16-11-17(22-18(16)20(23)25)19(24)21-15-9-10-15/h2-6,11-12,15,22H,7-10H2,1H3,(H,21,24)
InChIKeyMFDDVYIZMOWXCV-UHFFFAOYSA-N
XLogP2.54
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2,4-dioxo-3-(2-phenylethyl)-1H-quinazoline-7-carboxamide
CID 22423244
N-cyclopropyl-4-[3-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxy-2-methylpropyl)thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 167432804
N-cyclopropyl-4-[5-dimethylphosphoryl-3-[(3,5-dimethyl-2-pyridinyl)oxy]thiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 167434193
N-cyclopropyl-4-[3-[(4,6-dimethyl-2-pyridinyl)oxy]-5-(2-hydroxypropan-2-yl)-4-methylthiophen-2-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 167434382
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CID 5175687
4-(2-cyanophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
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1-cyclopropyl-3-(4-phenylbutyl)urea
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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methyl-7-oxo-4-(2-phenylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-6-methyl-7-oxo-4-(2-phenylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 174232246) is N-cyclopropyl-6-methyl-7-oxo-4-(2-phenylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-methyl-7-oxo-4-(2-phenylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-6-methyl-7-oxo-4-(2-phenylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is Cn1cc(CCc2ccccc2)c2cc(C(=O)NC3CC3)[nH]c2c1=O.
What is the InChIKey of N-cyclopropyl-6-methyl-7-oxo-4-(2-phenylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is MFDDVYIZMOWXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-23-12-14(8-7-13-5-3-2-4-6-13)16-11-17(22-18(16)20(23)25)19(24)21-15-9-10-15/h2-6,11-12,15,22H,7-10H2,1H3,(H,21,24).
What are the key properties of N-cyclopropyl-6-methyl-7-oxo-4-(2-phenylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
N-cyclopropyl-6-methyl-7-oxo-4-(2-phenylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methyl-7-oxo-4-(2-phenylethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 174232246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).