N-[(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide

C18H25N5O2 — CID 3467510

IUPACN-[(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCCCCCn1nc(C)c(C=NNC(=O)c2ccc(=O)n(C)c2)c1C
InChIInChI=1S/C18H25N5O2/c1-5-6-7-10-23-14(3)16(13(2)21-23)11-19-20-18(25)15-8-9-17(24)22(4)12-15/h8-9,11-12H,5-7,10H2,1-4H3,(H,20,25)
InChIKeyXUWMDYBIMQOQMA-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.15
Rot. Bonds7

About N-[(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide

N-[(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 3467510) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID3467510
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCCCCCn1nc(C)c(C=NNC(=O)c2ccc(=O)n(C)c2)c1C
InChIInChI=1S/C18H25N5O2/c1-5-6-7-10-23-14(3)16(13(2)21-23)11-19-20-18(25)15-8-9-17(24)22(4)12-15/h8-9,11-12H,5-7,10H2,1-4H3,(H,20,25)
InChIKeyXUWMDYBIMQOQMA-UHFFFAOYSA-N
XLogP2.15
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide (CID 3467510) is N-[(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide is CCCCCn1nc(C)c(C=NNC(=O)c2ccc(=O)n(C)c2)c1C.
What is the InChIKey of N-[(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is XUWMDYBIMQOQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-5-6-7-10-23-14(3)16(13(2)21-23)11-19-20-18(25)15-8-9-17(24)22(4)12-15/h8-9,11-12H,5-7,10H2,1-4H3,(H,20,25).
What are the key properties of N-[(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide?
N-[(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 3467510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).