N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C17H18F3N5O — CID 120604735

IUPACN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESNCc1cc(NC(=O)c2ccc(N3CCCC3)nn2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3N5O/c18-17(19,20)12-7-11(10-21)8-13(9-12)22-16(26)14-3-4-15(24-23-14)25-5-1-2-6-25/h3-4,7-9H,1-2,5-6,10,21H2,(H,22,26)
InChIKeyJYQUWLVPPLVACP-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.81
Rot. Bonds4

About N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 120604735) has the molecular formula C17H18F3N5O and a molecular weight of 365.36 g/mol. Its IUPAC name is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID120604735
Molecular FormulaC17H18F3N5O
Molecular Weight365.36 g/mol
Exact Mass365.15
IUPAC NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESNCc1cc(NC(=O)c2ccc(N3CCCC3)nn2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3N5O/c18-17(19,20)12-7-11(10-21)8-13(9-12)22-16(26)14-3-4-15(24-23-14)25-5-1-2-6-25/h3-4,7-9H,1-2,5-6,10,21H2,(H,22,26)
InChIKeyJYQUWLVPPLVACP-UHFFFAOYSA-N
XLogP2.81
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 120605603
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112603
N-(3,5-dimethoxyphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027738
6-(azepan-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide
CID 109126365
N-(3-chloro-4-fluorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778476
6-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109113261
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide
CID 120605415
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992587
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 120605553
N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 71778546
6-piperidin-1-yl-N-(3,4,5-trimethoxyphenyl)pyridazine-3-carboxamide
CID 109112601
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 120605581

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 120604735) is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is NCc1cc(NC(=O)c2ccc(N3CCCC3)nn2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is JYQUWLVPPLVACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O/c18-17(19,20)12-7-11(10-21)8-13(9-12)22-16(26)14-3-4-15(24-23-14)25-5-1-2-6-25/h3-4,7-9H,1-2,5-6,10,21H2,(H,22,26).
What are the key properties of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 120604735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).