N-[4-(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-pyridinyl]cyclopropanecarboxamide;hydrochloride

C20H24ClN3O — CID 155288307

IUPACN-[4-(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-pyridinyl]cyclopropanecarboxamide;hydrochloride
SMILESCl.NC1CCCCc2cc(-c3ccnc(NC(=O)C4CC4)c3)ccc21
InChIInChI=1S/C20H23N3O.ClH/c21-18-4-2-1-3-16-11-14(7-8-17(16)18)15-9-10-22-19(12-15)23-20(24)13-5-6-13;/h7-13,18H,1-6,21H2,(H,22,23,24);1H
InChIKeyOZOFAABUBASEJZ-UHFFFAOYSA-N
MW357.89 g/mol
LogP4.25
Rot. Bonds3

About N-[4-(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-pyridinyl]cyclopropanecarboxamide;hydrochloride

N-[4-(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-pyridinyl]cyclopropanecarboxamide;hydrochloride (PubChem CID 155288307) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is N-[4-(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-pyridinyl]cyclopropanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-pyridinyl]cyclopropanecarboxamide;hydrochloride
PubChem CID155288307
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC NameN-[4-(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-pyridinyl]cyclopropanecarboxamide;hydrochloride
SMILESCl.NC1CCCCc2cc(-c3ccnc(NC(=O)C4CC4)c3)ccc21
InChIInChI=1S/C20H23N3O.ClH/c21-18-4-2-1-3-16-11-14(7-8-17(16)18)15-9-10-22-19(12-15)23-20(24)13-5-6-13;/h7-13,18H,1-6,21H2,(H,22,23,24);1H
InChIKeyOZOFAABUBASEJZ-UHFFFAOYSA-N
XLogP4.25
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5R)-5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]-N-(1-methylpyrazol-4-yl)pyridin-2-amine
CID 135356278
N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclopropanecarboxamide;hydrochloride
CID 163409191
N-[4-[9-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclopropanecarboxamide;hydrochloride
CID 175379458
N-[4-[11-(3-aminopyrrolidin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride
CID 175474518
N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride
CID 175299318
3-[(5R)-2-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-4-pyridinyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide
CID 164847486
N-[4-[11-(3-aminopyrrolidin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl]-2-pyridinyl]cyclopentanecarboxamide
CID 175474511
3-[(5S)-2-[2-[[(1R,2R)-2-(trifluoromethyl)cyclopropanecarbonyl]amino]-4-pyridinyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide
CID 164847468
N-[4-[4-(aminomethyl)-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 155288152
N-(4-bromo-2-pyridinyl)cyclopentanecarboxamide
CID 102674366
2-(4-methyl-1,3-thiazol-5-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;hydrochloride
CID 170425243
3-tert-butyl-N-[(5R)-2-[2-[(2,2-difluorocyclopropanecarbonyl)amino]-4-pyridinyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide
CID 155288181

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-pyridinyl]cyclopropanecarboxamide;hydrochloride?
The IUPAC name of N-[4-(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-pyridinyl]cyclopropanecarboxamide;hydrochloride (CID 155288307) is N-[4-(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-pyridinyl]cyclopropanecarboxamide;hydrochloride.
What is the SMILES notation for N-[4-(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-pyridinyl]cyclopropanecarboxamide;hydrochloride?
The canonical SMILES for N-[4-(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-pyridinyl]cyclopropanecarboxamide;hydrochloride is Cl.NC1CCCCc2cc(-c3ccnc(NC(=O)C4CC4)c3)ccc21.
What is the InChIKey of N-[4-(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-pyridinyl]cyclopropanecarboxamide;hydrochloride?
The InChIKey is OZOFAABUBASEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O.ClH/c21-18-4-2-1-3-16-11-14(7-8-17(16)18)15-9-10-22-19(12-15)23-20(24)13-5-6-13;/h7-13,18H,1-6,21H2,(H,22,23,24);1H.
What are the key properties of N-[4-(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-pyridinyl]cyclopropanecarboxamide;hydrochloride?
N-[4-(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-pyridinyl]cyclopropanecarboxamide;hydrochloride has a molecular weight of 357.89 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-pyridinyl]cyclopropanecarboxamide;hydrochloride is sourced from PubChem (CID 155288307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).