N-[5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride

C18H26Cl2N4O2 — CID 119879379

IUPACN-[5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CC2CCC(C1)N2)Nc1ccc(NC(=O)C2CC2)nc1
InChIInChI=1S/C18H24N4O2.2ClH/c23-17(9-11-7-13-3-4-14(8-11)20-13)21-15-5-6-16(19-10-15)22-18(24)12-1-2-12;;/h5-6,10-14,20H,1-4,7-9H2,(H,21,23)(H,19,22,24);2*1H
InChIKeyVSWLNKKKDFXDJU-UHFFFAOYSA-N
MW401.34 g/mol
LogP3.13
Rot. Bonds5

About N-[5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride

N-[5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride (PubChem CID 119879379) has the molecular formula C18H26Cl2N4O2 and a molecular weight of 401.34 g/mol. Its IUPAC name is N-[5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride
PubChem CID119879379
Molecular FormulaC18H26Cl2N4O2
Molecular Weight401.34 g/mol
Exact Mass400.14
IUPAC NameN-[5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CC2CCC(C1)N2)Nc1ccc(NC(=O)C2CC2)nc1
InChIInChI=1S/C18H24N4O2.2ClH/c23-17(9-11-7-13-3-4-14(8-11)20-13)21-15-5-6-16(19-10-15)22-18(24)12-1-2-12;;/h5-6,10-14,20H,1-4,7-9H2,(H,21,23)(H,19,22,24);2*1H
InChIKeyVSWLNKKKDFXDJU-UHFFFAOYSA-N
XLogP3.13
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.34
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride with MolForge

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Related Compounds

N-(6-anilino-3-pyridinyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 119870635
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-chloro-2-pyridinyl)acetamide
CID 79607334
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride
CID 119735821
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;dihydrochloride
CID 119839701
N-[5-(3-aminopropanoylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 119879406
N-[6-[(2-spiro[2.3]hexan-5-ylacetyl)amino]-3-pyridinyl]cyclobutanecarboxamide
CID 166280255
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119672808
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-pyridin-4-yloxyphenyl)acetamide;dihydrochloride
CID 119867854
5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chlorobenzamide;hydrochloride
CID 119711582
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzothiazol-6-yl)acetamide;hydrochloride
CID 119734492
N-[6-[[2-(4-methoxycyclohexyl)acetyl]amino]-3-pyridinyl]cyclobutanecarboxamide
CID 166280258
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 119685267

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride?
The IUPAC name of N-[5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride (CID 119879379) is N-[5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride.
What is the SMILES notation for N-[5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride?
The canonical SMILES for N-[5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride is Cl.Cl.O=C(CC1CC2CCC(C1)N2)Nc1ccc(NC(=O)C2CC2)nc1.
What is the InChIKey of N-[5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride?
The InChIKey is VSWLNKKKDFXDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.2ClH/c23-17(9-11-7-13-3-4-14(8-11)20-13)21-15-5-6-16(19-10-15)22-18(24)12-1-2-12;;/h5-6,10-14,20H,1-4,7-9H2,(H,21,23)(H,19,22,24);2*1H.
What are the key properties of N-[5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride?
N-[5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride has a molecular weight of 401.34 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride is sourced from PubChem (CID 119879379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).