6-[(1-butylpiperidin-2-yl)methylamino]-N-methylpyridazine-3-carboxamide

C16H27N5O — CID 133343187

IUPAC6-[(1-butylpiperidin-2-yl)methylamino]-N-methylpyridazine-3-carboxamide
SMILESCCCCN1CCCCC1CNc1ccc(C(=O)NC)nn1
InChIInChI=1S/C16H27N5O/c1-3-4-10-21-11-6-5-7-13(21)12-18-15-9-8-14(19-20-15)16(22)17-2/h8-9,13H,3-7,10-12H2,1-2H3,(H,17,22)(H,18,20)
InChIKeyYTHQNKOITYXHFR-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.90
Rot. Bonds7

About 6-[(1-butylpiperidin-2-yl)methylamino]-N-methylpyridazine-3-carboxamide

6-[(1-butylpiperidin-2-yl)methylamino]-N-methylpyridazine-3-carboxamide (PubChem CID 133343187) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 6-[(1-butylpiperidin-2-yl)methylamino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(1-butylpiperidin-2-yl)methylamino]-N-methylpyridazine-3-carboxamide
PubChem CID133343187
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name6-[(1-butylpiperidin-2-yl)methylamino]-N-methylpyridazine-3-carboxamide
SMILESCCCCN1CCCCC1CNc1ccc(C(=O)NC)nn1
InChIInChI=1S/C16H27N5O/c1-3-4-10-21-11-6-5-7-13(21)12-18-15-9-8-14(19-20-15)16(22)17-2/h8-9,13H,3-7,10-12H2,1-2H3,(H,17,22)(H,18,20)
InChIKeyYTHQNKOITYXHFR-UHFFFAOYSA-N
XLogP1.90
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridazine-3-carboxamide
CID 62165895
6-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133382089
6-(3-butoxypropylamino)-N-methylpyridazine-3-carboxamide
CID 115669013
N-cyclohexyl-6-(pentylamino)pyridazine-3-carboxamide
CID 109113045
N-methyl-6-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methylamino]pyridazine-3-carboxamide
CID 128981766
6-(2-cyclobutylethylamino)-N-methylpyridazine-3-carboxamide
CID 115689939
4-[[(1-butylpiperidin-2-yl)methylamino]methyl]benzoic acid
CID 122031194
6-(ethylamino)-N-[(1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide
CID 62178776
[6-(propylamino)pyridazin-3-yl]-(2-propylpiperidin-1-yl)methanone
CID 83046126
N-[(1-butylpiperidin-2-yl)methyl]-1-phenyltetrazol-5-amine
CID 133301225
6-[(1-ethylpiperidin-4-yl)amino]-N-methylpyridazine-3-carboxamide
CID 79210349
1-[(1-butylpiperidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438758

Frequently Asked Questions

What is the IUPAC name of 6-[(1-butylpiperidin-2-yl)methylamino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[(1-butylpiperidin-2-yl)methylamino]-N-methylpyridazine-3-carboxamide (CID 133343187) is 6-[(1-butylpiperidin-2-yl)methylamino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[(1-butylpiperidin-2-yl)methylamino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[(1-butylpiperidin-2-yl)methylamino]-N-methylpyridazine-3-carboxamide is CCCCN1CCCCC1CNc1ccc(C(=O)NC)nn1.
What is the InChIKey of 6-[(1-butylpiperidin-2-yl)methylamino]-N-methylpyridazine-3-carboxamide?
The InChIKey is YTHQNKOITYXHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-3-4-10-21-11-6-5-7-13(21)12-18-15-9-8-14(19-20-15)16(22)17-2/h8-9,13H,3-7,10-12H2,1-2H3,(H,17,22)(H,18,20).
What are the key properties of 6-[(1-butylpiperidin-2-yl)methylamino]-N-methylpyridazine-3-carboxamide?
6-[(1-butylpiperidin-2-yl)methylamino]-N-methylpyridazine-3-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-butylpiperidin-2-yl)methylamino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 133343187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).