N-[2-(dimethylamino)-3-pyridinyl]-2,3-dihydro-1H-isoindole-5-carboxamide

C16H18N4O — CID 103998325

IUPACN-[2-(dimethylamino)-3-pyridinyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCN(C)c1ncccc1NC(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C16H18N4O/c1-20(2)15-14(4-3-7-18-15)19-16(21)11-5-6-12-9-17-10-13(12)8-11/h3-8,17H,9-10H2,1-2H3,(H,19,21)
InChIKeyMFPKVPAYGHWDAK-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.00
Rot. Bonds3

About N-[2-(dimethylamino)-3-pyridinyl]-2,3-dihydro-1H-isoindole-5-carboxamide

N-[2-(dimethylamino)-3-pyridinyl]-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 103998325) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-pyridinyl]-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-pyridinyl]-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID103998325
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-[2-(dimethylamino)-3-pyridinyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCN(C)c1ncccc1NC(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C16H18N4O/c1-20(2)15-14(4-3-7-18-15)19-16(21)11-5-6-12-9-17-10-13(12)8-11/h3-8,17H,9-10H2,1-2H3,(H,19,21)
InChIKeyMFPKVPAYGHWDAK-UHFFFAOYSA-N
XLogP2.00
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-pyridinyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-3-pyridinyl]-2,3-dihydro-1H-isoindole-5-carboxamide (CID 103998325) is N-[2-(dimethylamino)-3-pyridinyl]-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-pyridinyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-3-pyridinyl]-2,3-dihydro-1H-isoindole-5-carboxamide is CN(C)c1ncccc1NC(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-[2-(dimethylamino)-3-pyridinyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is MFPKVPAYGHWDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-20(2)15-14(4-3-7-18-15)19-16(21)11-5-6-12-9-17-10-13(12)8-11/h3-8,17H,9-10H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(dimethylamino)-3-pyridinyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
N-[2-(dimethylamino)-3-pyridinyl]-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-pyridinyl]-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 103998325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).