N-(cyclopropylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide

C14H20N4O2 — CID 110196819

IUPACN-(cyclopropylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide
SMILESCn1ncc(N2CCC(C(=O)NCC3CC3)C2)cc1=O
InChIInChI=1S/C14H20N4O2/c1-17-13(19)6-12(8-16-17)18-5-4-11(9-18)14(20)15-7-10-2-3-10/h6,8,10-11H,2-5,7,9H2,1H3,(H,15,20)
InChIKeyRPOAHIUSOZHSEW-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.13
Rot. Bonds4

About N-(cyclopropylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide

N-(cyclopropylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 110196819) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide
PubChem CID110196819
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-(cyclopropylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide
SMILESCn1ncc(N2CCC(C(=O)NCC3CC3)C2)cc1=O
InChIInChI=1S/C14H20N4O2/c1-17-13(19)6-12(8-16-17)18-5-4-11(9-18)14(20)15-7-10-2-3-10/h6,8,10-11H,2-5,7,9H2,1H3,(H,15,20)
InChIKeyRPOAHIUSOZHSEW-UHFFFAOYSA-N
XLogP0.13
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide (CID 110196819) is N-(cyclopropylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide is Cn1ncc(N2CCC(C(=O)NCC3CC3)C2)cc1=O.
What is the InChIKey of N-(cyclopropylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is RPOAHIUSOZHSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-17-13(19)6-12(8-16-17)18-5-4-11(9-18)14(20)15-7-10-2-3-10/h6,8,10-11H,2-5,7,9H2,1H3,(H,15,20).
What are the key properties of N-(cyclopropylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide?
N-(cyclopropylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 110196819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).