3-[(3R)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-6-chloropyridazine-4-carboxamide

C17H20ClN5O — CID 97220067

IUPAC3-[(3R)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-6-chloropyridazine-4-carboxamide
SMILESCN(Cc1ccccc1)[C@@H]1CCN(c2nnc(Cl)cc2C(N)=O)C1
InChIInChI=1S/C17H20ClN5O/c1-22(10-12-5-3-2-4-6-12)13-7-8-23(11-13)17-14(16(19)24)9-15(18)20-21-17/h2-6,9,13H,7-8,10-11H2,1H3,(H2,19,24)/t13-/m1/s1
InChIKeyRTDBJSDCNHRAFQ-CYBMUJFWSA-N
MW345.83 g/mol
LogP1.94
Rot. Bonds5

About 3-[(3R)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-6-chloropyridazine-4-carboxamide

3-[(3R)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-6-chloropyridazine-4-carboxamide (PubChem CID 97220067) has the molecular formula C17H20ClN5O and a molecular weight of 345.83 g/mol. Its IUPAC name is 3-[(3R)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-6-chloropyridazine-4-carboxamide.

Molecular Properties

Compound Name3-[(3R)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-6-chloropyridazine-4-carboxamide
PubChem CID97220067
Molecular FormulaC17H20ClN5O
Molecular Weight345.83 g/mol
Exact Mass345.14
IUPAC Name3-[(3R)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-6-chloropyridazine-4-carboxamide
SMILESCN(Cc1ccccc1)[C@@H]1CCN(c2nnc(Cl)cc2C(N)=O)C1
InChIInChI=1S/C17H20ClN5O/c1-22(10-12-5-3-2-4-6-12)13-7-8-23(11-13)17-14(16(19)24)9-15(18)20-21-17/h2-6,9,13H,7-8,10-11H2,1H3,(H2,19,24)/t13-/m1/s1
InChIKeyRTDBJSDCNHRAFQ-CYBMUJFWSA-N
XLogP1.94
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-3-(4-propan-2-ylpiperidin-1-yl)pyridazine-4-carboxamide
CID 133341091
6-chloro-3-(3-prop-2-enoxypyrrolidin-1-yl)pyridazine-4-carboxamide
CID 133465341
N-benzyl-N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine
CID 46225105
N-benzyl-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine
CID 167971004
2-amino-1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]ethanone
CID 66567107
6-chloro-3-[4-(2-fluoroanilino)piperidin-1-yl]pyridazine-4-carboxamide
CID 133340969
1-[4-[benzyl(methyl)amino]piperidin-1-yl]-2-chloroethanone
CID 66567050
3-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]benzoic acid
CID 122029147
4-[[3-[benzyl(methyl)amino]azetidin-1-yl]methyl]benzoic acid
CID 122035291
3-[benzyl(methyl)amino]cyclobutane-1-carboxylic acid
CID 117038263
[3-[benzyl(methyl)amino]pyrrolidin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone
CID 166216627
N-benzyl-1-[(2-chlorophenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid
CID 17369338

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-6-chloropyridazine-4-carboxamide?
The IUPAC name of 3-[(3R)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-6-chloropyridazine-4-carboxamide (CID 97220067) is 3-[(3R)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-6-chloropyridazine-4-carboxamide.
What is the SMILES notation for 3-[(3R)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-6-chloropyridazine-4-carboxamide?
The canonical SMILES for 3-[(3R)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-6-chloropyridazine-4-carboxamide is CN(Cc1ccccc1)[C@@H]1CCN(c2nnc(Cl)cc2C(N)=O)C1.
What is the InChIKey of 3-[(3R)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-6-chloropyridazine-4-carboxamide?
The InChIKey is RTDBJSDCNHRAFQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20ClN5O/c1-22(10-12-5-3-2-4-6-12)13-7-8-23(11-13)17-14(16(19)24)9-15(18)20-21-17/h2-6,9,13H,7-8,10-11H2,1H3,(H2,19,24)/t13-/m1/s1.
What are the key properties of 3-[(3R)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-6-chloropyridazine-4-carboxamide?
3-[(3R)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-6-chloropyridazine-4-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-6-chloropyridazine-4-carboxamide is sourced from PubChem (CID 97220067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).