N-[3-(3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl]pyridine-3-carboxamide;hydrochloride

C22H27ClN4O2 — CID 119047654

IUPACN-[3-(3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl]pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(C(=O)N2CCC3(CCNCC3)CC2)c1)c1cccnc1
InChIInChI=1S/C22H26N4O2.ClH/c27-20(18-4-2-10-24-16-18)25-19-5-1-3-17(15-19)21(28)26-13-8-22(9-14-26)6-11-23-12-7-22;/h1-5,10,15-16,23H,6-9,11-14H2,(H,25,27);1H
InChIKeyWIEJTSVUGFPZCB-UHFFFAOYSA-N
MW414.94 g/mol
LogP3.36
Rot. Bonds3

About N-[3-(3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl]pyridine-3-carboxamide;hydrochloride

N-[3-(3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl]pyridine-3-carboxamide;hydrochloride (PubChem CID 119047654) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is N-[3-(3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl]pyridine-3-carboxamide;hydrochloride
PubChem CID119047654
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC NameN-[3-(3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl]pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(C(=O)N2CCC3(CCNCC3)CC2)c1)c1cccnc1
InChIInChI=1S/C22H26N4O2.ClH/c27-20(18-4-2-10-24-16-18)25-19-5-1-3-17(15-19)21(28)26-13-8-22(9-14-26)6-11-23-12-7-22;/h1-5,10,15-16,23H,6-9,11-14H2,(H,25,27);1H
InChIKeyWIEJTSVUGFPZCB-UHFFFAOYSA-N
XLogP3.36
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[3-(3-aminopiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119381577
N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 25049788
(3aS,6aR)-2-[3-(pyridine-3-carbonylamino)benzoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683411
N-[3-[4-(benzenesulfonamido)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
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CID 55633340
N-[3-(cyclopropanecarbonyl)phenyl]pyridine-3-carboxamide
CID 82122759
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 94646302
N-(3-chlorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxamide;hydrochloride
CID 169490415
N-[3-[[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55763705
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl]pyridine-3-carboxamide;hydrochloride (CID 119047654) is N-[3-(3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl]pyridine-3-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(C(=O)N2CCC3(CCNCC3)CC2)c1)c1cccnc1.
What is the InChIKey of N-[3-(3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl]pyridine-3-carboxamide;hydrochloride?
The InChIKey is WIEJTSVUGFPZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2.ClH/c27-20(18-4-2-10-24-16-18)25-19-5-1-3-17(15-19)21(28)26-13-8-22(9-14-26)6-11-23-12-7-22;/h1-5,10,15-16,23H,6-9,11-14H2,(H,25,27);1H.
What are the key properties of N-[3-(3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl]pyridine-3-carboxamide;hydrochloride?
N-[3-(3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl]pyridine-3-carboxamide;hydrochloride has a molecular weight of 414.94 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119047654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).