N-(2-amino-1-naphthalen-2-ylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C21H23N5O — CID 120567521

IUPACN-(2-amino-1-naphthalen-2-ylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESNCC(NC(=O)c1ccc(N2CCCC2)nn1)c1ccc2ccccc2c1
InChIInChI=1S/C21H23N5O/c22-14-19(17-8-7-15-5-1-2-6-16(15)13-17)23-21(27)18-9-10-20(25-24-18)26-11-3-4-12-26/h1-2,5-10,13,19H,3-4,11-12,14,22H2,(H,23,27)
InChIKeyQBWGEHZPEOTXJA-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.66
Rot. Bonds5

About N-(2-amino-1-naphthalen-2-ylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-(2-amino-1-naphthalen-2-ylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 120567521) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(2-amino-1-naphthalen-2-ylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-naphthalen-2-ylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID120567521
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-(2-amino-1-naphthalen-2-ylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESNCC(NC(=O)c1ccc(N2CCCC2)nn1)c1ccc2ccccc2c1
InChIInChI=1S/C21H23N5O/c22-14-19(17-8-7-15-5-1-2-6-16(15)13-17)23-21(27)18-9-10-20(25-24-18)26-11-3-4-12-26/h1-2,5-10,13,19H,3-4,11-12,14,22H2,(H,23,27)
InChIKeyQBWGEHZPEOTXJA-UHFFFAOYSA-N
XLogP2.66
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 120508189
N-(2-amino-1-naphthalen-2-ylethyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 120567823
3-N-(2-amino-1-naphthalen-2-ylethyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 120568002
N-(2-amino-1-naphthalen-2-ylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 122081229
N-(2-amino-1-naphthalen-2-ylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 120567632
N-[(1R)-2-amino-1-naphthalen-2-ylethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 170899336
3-amino-N-(2-amino-1-naphthalen-2-ylethyl)propanamide
CID 122081221
N-(2-aminoethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
CID 119385085
N-(2-amino-1-naphthalen-2-ylethyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide;hydrochloride
CID 120568008
(2R)-3-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid
CID 119368696
N-(2-amino-1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride
CID 120567582
N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111816

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 120567521) is N-(2-amino-1-naphthalen-2-ylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2-amino-1-naphthalen-2-ylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(2-amino-1-naphthalen-2-ylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide is NCC(NC(=O)c1ccc(N2CCCC2)nn1)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-amino-1-naphthalen-2-ylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is QBWGEHZPEOTXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c22-14-19(17-8-7-15-5-1-2-6-16(15)13-17)23-21(27)18-9-10-20(25-24-18)26-11-3-4-12-26/h1-2,5-10,13,19H,3-4,11-12,14,22H2,(H,23,27).
What are the key properties of N-(2-amino-1-naphthalen-2-ylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-(2-amino-1-naphthalen-2-ylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-naphthalen-2-ylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 120567521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).