N-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C19H27N5O2 — CID 139521423

IUPACN-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2ccc(CN3CCC(C)(C)CC3)cn2)CCC1=O
InChIInChI=1S/C19H27N5O2/c1-19(2)8-10-24(11-9-19)13-14-4-6-16(20-12-14)21-18(26)15-5-7-17(25)23(3)22-15/h4,6,12H,5,7-11,13H2,1-3H3,(H,20,21,26)
InChIKeyPKFQLZGNIDRQFX-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.25
Rot. Bonds4

About N-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 139521423) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID139521423
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2ccc(CN3CCC(C)(C)CC3)cn2)CCC1=O
InChIInChI=1S/C19H27N5O2/c1-19(2)8-10-24(11-9-19)13-14-4-6-16(20-12-14)21-18(26)15-5-7-17(25)23(3)22-15/h4,6,12H,5,7-11,13H2,1-3H3,(H,20,21,26)
InChIKeyPKFQLZGNIDRQFX-UHFFFAOYSA-N
XLogP2.25
TPSA77.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 139521423) is N-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)Nc2ccc(CN3CCC(C)(C)CC3)cn2)CCC1=O.
What is the InChIKey of N-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is PKFQLZGNIDRQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-19(2)8-10-24(11-9-19)13-14-4-6-16(20-12-14)21-18(26)15-5-7-17(25)23(3)22-15/h4,6,12H,5,7-11,13H2,1-3H3,(H,20,21,26).
What are the key properties of N-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 139521423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).