N,2-dimethyl-N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;molecular hydrogen

C24H29N3O2 — CID 145081408

IUPACN,2-dimethyl-N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;molecular hydrogen
SMILESC=CCn1cc(C(=O)N(C)C2CCCc3c(C)cccc32)c2cc(C)[nH]c2c1=O.[H][H]
InChIInChI=1S/C24H27N3O2.H2/c1-5-12-27-14-20(19-13-16(3)25-22(19)24(27)29)23(28)26(4)21-11-7-9-17-15(2)8-6-10-18(17)21;/h5-6,8,10,13-14,21,25H,1,7,9,11-12H2,2-4H3;1H
InChIKeyOMGIAEBRYYDOCB-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.53
Rot. Bonds4

About N,2-dimethyl-N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;molecular hydrogen

N,2-dimethyl-N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;molecular hydrogen (PubChem CID 145081408) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N,2-dimethyl-N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN,2-dimethyl-N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;molecular hydrogen
PubChem CID145081408
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN,2-dimethyl-N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;molecular hydrogen
SMILESC=CCn1cc(C(=O)N(C)C2CCCc3c(C)cccc32)c2cc(C)[nH]c2c1=O.[H][H]
InChIInChI=1S/C24H27N3O2.H2/c1-5-12-27-14-20(19-13-16(3)25-22(19)24(27)29)23(28)26(4)21-11-7-9-17-15(2)8-6-10-18(17)21;/h5-6,8,10,13-14,21,25H,1,7,9,11-12H2,2-4H3;1H
InChIKeyOMGIAEBRYYDOCB-UHFFFAOYSA-N
XLogP4.53
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;molecular hydrogen?
The IUPAC name of N,2-dimethyl-N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;molecular hydrogen (CID 145081408) is N,2-dimethyl-N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;molecular hydrogen.
What is the SMILES notation for N,2-dimethyl-N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;molecular hydrogen?
The canonical SMILES for N,2-dimethyl-N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;molecular hydrogen is C=CCn1cc(C(=O)N(C)C2CCCc3c(C)cccc32)c2cc(C)[nH]c2c1=O.[H][H].
What is the InChIKey of N,2-dimethyl-N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;molecular hydrogen?
The InChIKey is OMGIAEBRYYDOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2.H2/c1-5-12-27-14-20(19-13-16(3)25-22(19)24(27)29)23(28)26(4)21-11-7-9-17-15(2)8-6-10-18(17)21;/h5-6,8,10,13-14,21,25H,1,7,9,11-12H2,2-4H3;1H.
What are the key properties of N,2-dimethyl-N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;molecular hydrogen?
N,2-dimethyl-N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;molecular hydrogen has a molecular weight of 391.52 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(5-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;molecular hydrogen is sourced from PubChem (CID 145081408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).