N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(naphthalene-2-carbonyl)indolizine-1-carboxamide;hydrochloride

C27H26ClN3O2 — CID 127032836

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(naphthalene-2-carbonyl)indolizine-1-carboxamide;hydrochloride
SMILESCl.O=C(N[C@H]1CN2CCC1CC2)c1cc(C(=O)c2ccc3ccccc3c2)n2ccccc12
InChIInChI=1S/C27H25N3O2.ClH/c31-26(21-9-8-18-5-1-2-6-20(18)15-21)25-16-22(24-7-3-4-12-30(24)25)27(32)28-23-17-29-13-10-19(23)11-14-29;/h1-9,12,15-16,19,23H,10-11,13-14,17H2,(H,28,32);1H/t23-;/m0./s1
InChIKeyUQMSTVOCRXSCGU-BQAIUKQQSA-N
MW459.98 g/mol
LogP4.57
Rot. Bonds4

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(naphthalene-2-carbonyl)indolizine-1-carboxamide;hydrochloride

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(naphthalene-2-carbonyl)indolizine-1-carboxamide;hydrochloride (PubChem CID 127032836) has the molecular formula C27H26ClN3O2 and a molecular weight of 459.98 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(naphthalene-2-carbonyl)indolizine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(naphthalene-2-carbonyl)indolizine-1-carboxamide;hydrochloride
PubChem CID127032836
Molecular FormulaC27H26ClN3O2
Molecular Weight459.98 g/mol
Exact Mass459.17
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(naphthalene-2-carbonyl)indolizine-1-carboxamide;hydrochloride
SMILESCl.O=C(N[C@H]1CN2CCC1CC2)c1cc(C(=O)c2ccc3ccccc3c2)n2ccccc12
InChIInChI=1S/C27H25N3O2.ClH/c31-26(21-9-8-18-5-1-2-6-20(18)15-21)25-16-22(24-7-3-4-12-30(24)25)27(32)28-23-17-29-13-10-19(23)11-14-29;/h1-9,12,15-16,19,23H,10-11,13-14,17H2,(H,28,32);1H/t23-;/m0./s1
InChIKeyUQMSTVOCRXSCGU-BQAIUKQQSA-N
XLogP4.57
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.98
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydroxybenzamide
CID 15020109
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-(1-azabicyclo[2.2.2]octan-3-yl)-8-chloronaphthalene-2-carboxamide
CID 22243458
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-phenylmethoxynaphthalene-2-carboxamide
CID 10150574
N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydropyrido[1,2-a]indole-9-carboxamide
CID 67877100
ethyl 7-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]-3-(3-chlorobenzoyl)indolizine-1-carboxylate
CID 127030590
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-8-carboxamide
CID 69380368
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindole-3-carboxamide
CID 14578824
N-(1-azabicyclo[2.2.2]octan-3-yl)phenazine-2-carboxamide
CID 12985341
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-propan-2-ylindole-3-carboxamide
CID 97266405
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-benzothiophene-5-carboxamide
CID 23529193
3-(4-methoxybenzoyl)-N-phenylindolizine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(naphthalene-2-carbonyl)indolizine-1-carboxamide;hydrochloride?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(naphthalene-2-carbonyl)indolizine-1-carboxamide;hydrochloride (CID 127032836) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(naphthalene-2-carbonyl)indolizine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(naphthalene-2-carbonyl)indolizine-1-carboxamide;hydrochloride?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(naphthalene-2-carbonyl)indolizine-1-carboxamide;hydrochloride is Cl.O=C(N[C@H]1CN2CCC1CC2)c1cc(C(=O)c2ccc3ccccc3c2)n2ccccc12.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(naphthalene-2-carbonyl)indolizine-1-carboxamide;hydrochloride?
The InChIKey is UQMSTVOCRXSCGU-BQAIUKQQSA-N. The full InChI is InChI=1S/C27H25N3O2.ClH/c31-26(21-9-8-18-5-1-2-6-20(18)15-21)25-16-22(24-7-3-4-12-30(24)25)27(32)28-23-17-29-13-10-19(23)11-14-29;/h1-9,12,15-16,19,23H,10-11,13-14,17H2,(H,28,32);1H/t23-;/m0./s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(naphthalene-2-carbonyl)indolizine-1-carboxamide;hydrochloride?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(naphthalene-2-carbonyl)indolizine-1-carboxamide;hydrochloride has a molecular weight of 459.98 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-(naphthalene-2-carbonyl)indolizine-1-carboxamide;hydrochloride is sourced from PubChem (CID 127032836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).