1-amino-N-methyl-N-pyridin-2-ylisoquinoline-3-carboxamide

C16H14N4O — CID 62151478

IUPAC1-amino-N-methyl-N-pyridin-2-ylisoquinoline-3-carboxamide
SMILESCN(C(=O)c1cc2ccccc2c(N)n1)c1ccccn1
InChIInChI=1S/C16H14N4O/c1-20(14-8-4-5-9-18-14)16(21)13-10-11-6-2-3-7-12(11)15(17)19-13/h2-10H,1H3,(H2,17,19)
InChIKeyMYMPECUYNFBFJS-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.49
Rot. Bonds2

About 1-amino-N-methyl-N-pyridin-2-ylisoquinoline-3-carboxamide

1-amino-N-methyl-N-pyridin-2-ylisoquinoline-3-carboxamide (PubChem CID 62151478) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-amino-N-methyl-N-pyridin-2-ylisoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-amino-N-methyl-N-pyridin-2-ylisoquinoline-3-carboxamide
PubChem CID62151478
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name1-amino-N-methyl-N-pyridin-2-ylisoquinoline-3-carboxamide
SMILESCN(C(=O)c1cc2ccccc2c(N)n1)c1ccccn1
InChIInChI=1S/C16H14N4O/c1-20(14-8-4-5-9-18-14)16(21)13-10-11-6-2-3-7-12(11)15(17)19-13/h2-10H,1H3,(H2,17,19)
InChIKeyMYMPECUYNFBFJS-UHFFFAOYSA-N
XLogP2.49
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N,6-dimethyl-N-pyridin-2-ylpyrimidine-4-carboxamide
CID 114220181
2-N,6-N-dimethyl-2-N,6-N-dipyridin-2-ylpyridine-2,6-dicarboxamide
CID 101347293
1-amino-N-methyl-N-(2-methylpropyl)isoquinoline-3-carboxamide
CID 62156475
1-amino-N-methyl-N-(oxolan-3-yl)isoquinoline-3-carboxamide
CID 82743415
1-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)isoquinoline-3-carboxamide
CID 79380171
1-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylisoquinoline-3-carboxamide
CID 62185684
1-amino-N-propan-2-yl-N-propylisoquinoline-3-carboxamide
CID 62156479
6-amino-N-methyl-N-pyridin-2-ylpyridine-3-carboxamide
CID 62153613
4-cyano-N-methyl-N-pyridin-2-ylpyridine-2-carboxamide
CID 115116827
2-amino-4-fluoro-N-methyl-N-pyridin-2-ylbenzamide
CID 63110510
1-amino-N-butyl-N-(2-hydroxyethyl)isoquinoline-3-carboxamide
CID 62160551
5-carbamothioyl-N-methyl-N-pyridin-2-ylpyridine-2-carboxamide
CID 63723408

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-methyl-N-pyridin-2-ylisoquinoline-3-carboxamide?
The IUPAC name of 1-amino-N-methyl-N-pyridin-2-ylisoquinoline-3-carboxamide (CID 62151478) is 1-amino-N-methyl-N-pyridin-2-ylisoquinoline-3-carboxamide.
What is the SMILES notation for 1-amino-N-methyl-N-pyridin-2-ylisoquinoline-3-carboxamide?
The canonical SMILES for 1-amino-N-methyl-N-pyridin-2-ylisoquinoline-3-carboxamide is CN(C(=O)c1cc2ccccc2c(N)n1)c1ccccn1.
What is the InChIKey of 1-amino-N-methyl-N-pyridin-2-ylisoquinoline-3-carboxamide?
The InChIKey is MYMPECUYNFBFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-20(14-8-4-5-9-18-14)16(21)13-10-11-6-2-3-7-12(11)15(17)19-13/h2-10H,1H3,(H2,17,19).
What are the key properties of 1-amino-N-methyl-N-pyridin-2-ylisoquinoline-3-carboxamide?
1-amino-N-methyl-N-pyridin-2-ylisoquinoline-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-methyl-N-pyridin-2-ylisoquinoline-3-carboxamide is sourced from PubChem (CID 62151478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).