N-[(1,5-dimethylpyrazol-4-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

C19H18N4O2 — CID 122178347

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESCc1c(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)cnn1C
InChIInChI=1S/C19H18N4O2/c1-12-14(10-22-23(12)2)9-21-19(24)13-3-4-17-16-5-6-20-8-15(16)11-25-18(17)7-13/h3-8,10H,9,11H2,1-2H3,(H,21,24)
InChIKeyDUZSKAACNFPBBF-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.61
Rot. Bonds3

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 122178347) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID122178347
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESCc1c(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)cnn1C
InChIInChI=1S/C19H18N4O2/c1-12-14(10-22-23(12)2)9-21-19(24)13-3-4-17-16-5-6-20-8-15(16)11-25-18(17)7-13/h3-8,10H,9,11H2,1-2H3,(H,21,24)
InChIKeyDUZSKAACNFPBBF-UHFFFAOYSA-N
XLogP2.61
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 122178347) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is Cc1c(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is DUZSKAACNFPBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-12-14(10-22-23(12)2)9-21-19(24)13-3-4-17-16-5-6-20-8-15(16)11-25-18(17)7-13/h3-8,10H,9,11H2,1-2H3,(H,21,24).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 122178347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).