3-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide

C20H20N8O — CID 135344813

IUPAC3-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide
SMILESCNC(=O)c1cc(Nc2cc3cc(-c4cnccc4C)nc(N)c3cn2)nn1C
InChIInChI=1S/C20H20N8O/c1-11-4-5-23-9-13(11)15-6-12-7-17(24-10-14(12)19(21)25-15)26-18-8-16(20(29)22-2)28(3)27-18/h4-10H,1-3H3,(H2,21,25)(H,22,29)(H,24,26,27)
InChIKeyUCRMNRFMXLULDF-UHFFFAOYSA-N
MW388.44 g/mol
LogP2.42
Rot. Bonds4

About 3-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide

3-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide (PubChem CID 135344813) has the molecular formula C20H20N8O and a molecular weight of 388.44 g/mol. Its IUPAC name is 3-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide
PubChem CID135344813
Molecular FormulaC20H20N8O
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC Name3-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide
SMILESCNC(=O)c1cc(Nc2cc3cc(-c4cnccc4C)nc(N)c3cn2)nn1C
InChIInChI=1S/C20H20N8O/c1-11-4-5-23-9-13(11)15-6-12-7-17(24-10-14(12)19(21)25-15)26-18-8-16(20(29)22-2)28(3)27-18/h4-10H,1-3H3,(H2,21,25)(H,22,29)(H,24,26,27)
InChIKeyUCRMNRFMXLULDF-UHFFFAOYSA-N
XLogP2.42
TPSA123.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide?
The IUPAC name of 3-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide (CID 135344813) is 3-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 3-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 3-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide is CNC(=O)c1cc(Nc2cc3cc(-c4cnccc4C)nc(N)c3cn2)nn1C.
What is the InChIKey of 3-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide?
The InChIKey is UCRMNRFMXLULDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O/c1-11-4-5-23-9-13(11)15-6-12-7-17(24-10-14(12)19(21)25-15)26-18-8-16(20(29)22-2)28(3)27-18/h4-10H,1-3H3,(H2,21,25)(H,22,29)(H,24,26,27).
What are the key properties of 3-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide?
3-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide has a molecular weight of 388.44 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]-N,1-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 135344813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).