1-methyl-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide

C15H18N4O3 — CID 71808464

IUPAC1-methyl-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide
SMILESCn1nc(CNC(=O)c2cccn(C)c2=O)c2c1CCOC2
InChIInChI=1S/C15H18N4O3/c1-18-6-3-4-10(15(18)21)14(20)16-8-12-11-9-22-7-5-13(11)19(2)17-12/h3-4,6H,5,7-9H2,1-2H3,(H,16,20)
InChIKeyIQXVCRLRKYQNRM-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.12
Rot. Bonds3

About 1-methyl-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide

1-methyl-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 71808464) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-methyl-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID71808464
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name1-methyl-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide
SMILESCn1nc(CNC(=O)c2cccn(C)c2=O)c2c1CCOC2
InChIInChI=1S/C15H18N4O3/c1-18-6-3-4-10(15(18)21)14(20)16-8-12-11-9-22-7-5-13(11)19(2)17-12/h3-4,6H,5,7-9H2,1-2H3,(H,16,20)
InChIKeyIQXVCRLRKYQNRM-UHFFFAOYSA-N
XLogP0.12
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-methyl-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide (CID 71808464) is 1-methyl-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide is Cn1nc(CNC(=O)c2cccn(C)c2=O)c2c1CCOC2.
What is the InChIKey of 1-methyl-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is IQXVCRLRKYQNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-18-6-3-4-10(15(18)21)14(20)16-8-12-11-9-22-7-5-13(11)19(2)17-12/h3-4,6H,5,7-9H2,1-2H3,(H,16,20).
What are the key properties of 1-methyl-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide?
1-methyl-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 71808464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).