1,6-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide

C18H23N5O3 — CID 70734562

IUPAC1,6-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC2CCN(c3cnn(C)c(=O)c3)C2)c(=O)n1C
InChIInChI=1S/C18H23N5O3/c1-12-4-5-15(18(26)21(12)2)17(25)19-9-13-6-7-23(11-13)14-8-16(24)22(3)20-10-14/h4-5,8,10,13H,6-7,9,11H2,1-3H3,(H,19,25)
InChIKeyBVCDHSPDLCYVNS-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.04
Rot. Bonds4

About 1,6-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide

1,6-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide (PubChem CID 70734562) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1,6-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1,6-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide
PubChem CID70734562
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name1,6-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC2CCN(c3cnn(C)c(=O)c3)C2)c(=O)n1C
InChIInChI=1S/C18H23N5O3/c1-12-4-5-15(18(26)21(12)2)17(25)19-9-13-6-7-23(11-13)14-8-16(24)22(3)20-10-14/h4-5,8,10,13H,6-7,9,11H2,1-3H3,(H,19,25)
InChIKeyBVCDHSPDLCYVNS-UHFFFAOYSA-N
XLogP0.04
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1,6-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide (CID 70734562) is 1,6-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1,6-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1,6-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide is Cc1ccc(C(=O)NCC2CCN(c3cnn(C)c(=O)c3)C2)c(=O)n1C.
What is the InChIKey of 1,6-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is BVCDHSPDLCYVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-12-4-5-15(18(26)21(12)2)17(25)19-9-13-6-7-23(11-13)14-8-16(24)22(3)20-10-14/h4-5,8,10,13H,6-7,9,11H2,1-3H3,(H,19,25).
What are the key properties of 1,6-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide?
1,6-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 70734562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).