N-benzyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-propan-2-ylpyridazine-3-carboxamide

C23H27N5O — CID 109122580

IUPACN-benzyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc(N(C)CCc2ccncc2)nn1
InChIInChI=1S/C23H27N5O/c1-18(2)28(17-20-7-5-4-6-8-20)23(29)21-9-10-22(26-25-21)27(3)16-13-19-11-14-24-15-12-19/h4-12,14-15,18H,13,16-17H2,1-3H3
InChIKeyGZUSIMSNTNDRJB-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.60
Rot. Bonds8

About N-benzyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-propan-2-ylpyridazine-3-carboxamide

N-benzyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-propan-2-ylpyridazine-3-carboxamide (PubChem CID 109122580) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-benzyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-propan-2-ylpyridazine-3-carboxamide
PubChem CID109122580
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-benzyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc(N(C)CCc2ccncc2)nn1
InChIInChI=1S/C23H27N5O/c1-18(2)28(17-20-7-5-4-6-8-20)23(29)21-9-10-22(26-25-21)27(3)16-13-19-11-14-24-15-12-19/h4-12,14-15,18H,13,16-17H2,1-3H3
InChIKeyGZUSIMSNTNDRJB-UHFFFAOYSA-N
XLogP3.60
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxylic acid
CID 54944199
N-[2-(dimethylamino)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109115358
N-[(2-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109118133
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254
N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
N-[2-(4-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109122510
6-anilino-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide
CID 109125118
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
N-benzyl-6-(tert-butylamino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109124715
6-[benzyl(methyl)amino]-N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 109118961
6-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158287
N-(4-fluorophenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109122614

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of N-benzyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-propan-2-ylpyridazine-3-carboxamide (CID 109122580) is N-benzyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-propan-2-ylpyridazine-3-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1ccc(N(C)CCc2ccncc2)nn1.
What is the InChIKey of N-benzyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is GZUSIMSNTNDRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-18(2)28(17-20-7-5-4-6-8-20)23(29)21-9-10-22(26-25-21)27(3)16-13-19-11-14-24-15-12-19/h4-12,14-15,18H,13,16-17H2,1-3H3.
What are the key properties of N-benzyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-propan-2-ylpyridazine-3-carboxamide?
N-benzyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.60, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 109122580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).