15,15-dimethyl-N-pyrrolidin-3-yl-8,11-diaza-12-azoniatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10,13-hexaene-4-carboxamide

C19H22N5O+ — CID 144534986

IUPAC15,15-dimethyl-N-pyrrolidin-3-yl-8,11-diaza-12-azoniatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10,13-hexaene-4-carboxamide
SMILESCC1(C)C2=C[NH2+]N=C2c2[nH]c3ccc(C(=O)NC4CCNC4)cc3c21
InChIInChI=1S/C19H21N5O/c1-19(2)13-9-21-24-16(13)17-15(19)12-7-10(3-4-14(12)23-17)18(25)22-11-5-6-20-8-11/h3-4,7,9,11,20,23H,5-6,8H2,1-2H3,(H,21,24)(H,22,25)/p+1
InChIKeySZEUANQNASOVKX-UHFFFAOYSA-O
MW336.42 g/mol
LogP0.72
Rot. Bonds2

About 15,15-dimethyl-N-pyrrolidin-3-yl-8,11-diaza-12-azoniatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10,13-hexaene-4-carboxamide

15,15-dimethyl-N-pyrrolidin-3-yl-8,11-diaza-12-azoniatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10,13-hexaene-4-carboxamide (PubChem CID 144534986) has the molecular formula C19H22N5O+ and a molecular weight of 336.42 g/mol. Its IUPAC name is 15,15-dimethyl-N-pyrrolidin-3-yl-8,11-diaza-12-azoniatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10,13-hexaene-4-carboxamide.

Molecular Properties

Compound Name15,15-dimethyl-N-pyrrolidin-3-yl-8,11-diaza-12-azoniatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10,13-hexaene-4-carboxamide
PubChem CID144534986
Molecular FormulaC19H22N5O+
Molecular Weight336.42 g/mol
Exact Mass336.18
IUPAC Name15,15-dimethyl-N-pyrrolidin-3-yl-8,11-diaza-12-azoniatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10,13-hexaene-4-carboxamide
SMILESCC1(C)C2=C[NH2+]N=C2c2[nH]c3ccc(C(=O)NC4CCNC4)cc3c21
InChIInChI=1S/C19H21N5O/c1-19(2)13-9-21-24-16(13)17-15(19)12-7-10(3-4-14(12)23-17)18(25)22-11-5-6-20-8-11/h3-4,7,9,11,20,23H,5-6,8H2,1-2H3,(H,21,24)(H,22,25)/p+1
InChIKeySZEUANQNASOVKX-UHFFFAOYSA-O
XLogP0.72
TPSA85.89 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze 15,15-dimethyl-N-pyrrolidin-3-yl-8,11-diaza-12-azoniatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10,13-hexaene-4-carboxamide with MolForge

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Related Compounds

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2,2,4,4-tetramethyl-6-[1-(pyrrolidin-3-ylamino)ethenyl]-3,9-dihydrocarbazol-1-one
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4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449499
N-pyrrolidin-3-yl-1H-indole-5-carboxamide
CID 63747913
15,15-dimethyl-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-8,11,12-triazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10(14),12-hexaene-4-carboxamide
CID 136609417
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CID 107728777
4-methyl-N-[(3R)-pyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 44555586
4-methyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide
CID 68710712
2-(acetamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 112530809
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 15,15-dimethyl-N-pyrrolidin-3-yl-8,11-diaza-12-azoniatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10,13-hexaene-4-carboxamide?
The IUPAC name of 15,15-dimethyl-N-pyrrolidin-3-yl-8,11-diaza-12-azoniatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10,13-hexaene-4-carboxamide (CID 144534986) is 15,15-dimethyl-N-pyrrolidin-3-yl-8,11-diaza-12-azoniatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10,13-hexaene-4-carboxamide.
What is the SMILES notation for 15,15-dimethyl-N-pyrrolidin-3-yl-8,11-diaza-12-azoniatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10,13-hexaene-4-carboxamide?
The canonical SMILES for 15,15-dimethyl-N-pyrrolidin-3-yl-8,11-diaza-12-azoniatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10,13-hexaene-4-carboxamide is CC1(C)C2=C[NH2+]N=C2c2[nH]c3ccc(C(=O)NC4CCNC4)cc3c21.
What is the InChIKey of 15,15-dimethyl-N-pyrrolidin-3-yl-8,11-diaza-12-azoniatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10,13-hexaene-4-carboxamide?
The InChIKey is SZEUANQNASOVKX-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21N5O/c1-19(2)13-9-21-24-16(13)17-15(19)12-7-10(3-4-14(12)23-17)18(25)22-11-5-6-20-8-11/h3-4,7,9,11,20,23H,5-6,8H2,1-2H3,(H,21,24)(H,22,25)/p+1.
What are the key properties of 15,15-dimethyl-N-pyrrolidin-3-yl-8,11-diaza-12-azoniatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10,13-hexaene-4-carboxamide?
15,15-dimethyl-N-pyrrolidin-3-yl-8,11-diaza-12-azoniatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10,13-hexaene-4-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 0.72, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15,15-dimethyl-N-pyrrolidin-3-yl-8,11-diaza-12-azoniatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10,13-hexaene-4-carboxamide is sourced from PubChem (CID 144534986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).