N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;dihydrochloride

C17H26Cl2N4O — CID 119458333

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CC2CCC(C1)N2)c1cccnc1N1CCCC1
InChIInChI=1S/C17H24N4O.2ClH/c22-17(20-14-10-12-5-6-13(11-14)19-12)15-4-3-7-18-16(15)21-8-1-2-9-21;;/h3-4,7,12-14,19H,1-2,5-6,8-11H2,(H,20,22);2*1H
InChIKeyQUWXBUWXIZOSCW-UHFFFAOYSA-N
MW373.33 g/mol
LogP2.54
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;dihydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;dihydrochloride (PubChem CID 119458333) has the molecular formula C17H26Cl2N4O and a molecular weight of 373.33 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;dihydrochloride
PubChem CID119458333
Molecular FormulaC17H26Cl2N4O
Molecular Weight373.33 g/mol
Exact Mass372.15
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CC2CCC(C1)N2)c1cccnc1N1CCCC1
InChIInChI=1S/C17H24N4O.2ClH/c22-17(20-14-10-12-5-6-13(11-14)19-12)15-4-3-7-18-16(15)21-8-1-2-9-21;;/h3-4,7,12-14,19H,1-2,5-6,8-11H2,(H,20,22);2*1H
InChIKeyQUWXBUWXIZOSCW-UHFFFAOYSA-N
XLogP2.54
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-piperidin-3-yl-2-pyrrolidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 119427810
2-piperidin-1-yl-N-piperidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119426882
N-[(3S,5R)-3,5-bis(trifluoromethyl)cyclohexyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 51956247
N-cyclopropyl-2-(3-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 53015810
N-(2-methylpiperidin-3-yl)-2-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 120577474
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chloroquinoline-8-carboxamide;dihydrochloride
CID 119458232
N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 84574711
N-[4-(cyclopropylcarbamoylamino)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 47062568
N-(2-aminoethyl)-2-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 119383900
N-(8-azabicyclo[3.2.1]octan-3-yl)-6-chloroquinoline-8-carboxamide
CID 119455967
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
N-(8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide
CID 81485515

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;dihydrochloride (CID 119458333) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(NC1CC2CCC(C1)N2)c1cccnc1N1CCCC1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;dihydrochloride?
The InChIKey is QUWXBUWXIZOSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.2ClH/c22-17(20-14-10-12-5-6-13(11-14)19-12)15-4-3-7-18-16(15)21-8-1-2-9-21;;/h3-4,7,12-14,19H,1-2,5-6,8-11H2,(H,20,22);2*1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;dihydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;dihydrochloride has a molecular weight of 373.33 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119458333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).