6-methyl-N-[[3-methyl-1-(5-methylhexanoyl)pyrrolidin-3-yl]methyl]pyridazine-4-carboxamide

C19H30N4O2 — CID 167829569

IUPAC6-methyl-N-[[3-methyl-1-(5-methylhexanoyl)pyrrolidin-3-yl]methyl]pyridazine-4-carboxamide
SMILESCc1cc(C(=O)NCC2(C)CCN(C(=O)CCCC(C)C)C2)cnn1
InChIInChI=1S/C19H30N4O2/c1-14(2)6-5-7-17(24)23-9-8-19(4,13-23)12-20-18(25)16-10-15(3)22-21-11-16/h10-11,14H,5-9,12-13H2,1-4H3,(H,20,25)
InChIKeyOVFWFXDAVXXEEO-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.58
Rot. Bonds7

About 6-methyl-N-[[3-methyl-1-(5-methylhexanoyl)pyrrolidin-3-yl]methyl]pyridazine-4-carboxamide

6-methyl-N-[[3-methyl-1-(5-methylhexanoyl)pyrrolidin-3-yl]methyl]pyridazine-4-carboxamide (PubChem CID 167829569) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 6-methyl-N-[[3-methyl-1-(5-methylhexanoyl)pyrrolidin-3-yl]methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[[3-methyl-1-(5-methylhexanoyl)pyrrolidin-3-yl]methyl]pyridazine-4-carboxamide
PubChem CID167829569
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name6-methyl-N-[[3-methyl-1-(5-methylhexanoyl)pyrrolidin-3-yl]methyl]pyridazine-4-carboxamide
SMILESCc1cc(C(=O)NCC2(C)CCN(C(=O)CCCC(C)C)C2)cnn1
InChIInChI=1S/C19H30N4O2/c1-14(2)6-5-7-17(24)23-9-8-19(4,13-23)12-20-18(25)16-10-15(3)22-21-11-16/h10-11,14H,5-9,12-13H2,1-4H3,(H,20,25)
InChIKeyOVFWFXDAVXXEEO-UHFFFAOYSA-N
XLogP2.58
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[3-methyl-1-(5-methylhexanoyl)pyrrolidin-3-yl]methyl]pyridazine-4-carboxamide?
The IUPAC name of 6-methyl-N-[[3-methyl-1-(5-methylhexanoyl)pyrrolidin-3-yl]methyl]pyridazine-4-carboxamide (CID 167829569) is 6-methyl-N-[[3-methyl-1-(5-methylhexanoyl)pyrrolidin-3-yl]methyl]pyridazine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-[[3-methyl-1-(5-methylhexanoyl)pyrrolidin-3-yl]methyl]pyridazine-4-carboxamide?
The canonical SMILES for 6-methyl-N-[[3-methyl-1-(5-methylhexanoyl)pyrrolidin-3-yl]methyl]pyridazine-4-carboxamide is Cc1cc(C(=O)NCC2(C)CCN(C(=O)CCCC(C)C)C2)cnn1.
What is the InChIKey of 6-methyl-N-[[3-methyl-1-(5-methylhexanoyl)pyrrolidin-3-yl]methyl]pyridazine-4-carboxamide?
The InChIKey is OVFWFXDAVXXEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14(2)6-5-7-17(24)23-9-8-19(4,13-23)12-20-18(25)16-10-15(3)22-21-11-16/h10-11,14H,5-9,12-13H2,1-4H3,(H,20,25).
What are the key properties of 6-methyl-N-[[3-methyl-1-(5-methylhexanoyl)pyrrolidin-3-yl]methyl]pyridazine-4-carboxamide?
6-methyl-N-[[3-methyl-1-(5-methylhexanoyl)pyrrolidin-3-yl]methyl]pyridazine-4-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[3-methyl-1-(5-methylhexanoyl)pyrrolidin-3-yl]methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 167829569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).