(4-carbamoyl-2-methanimidoylphenyl)-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethyl]azanium

C15H22N5O+ — CID 142000998

IUPAC(4-carbamoyl-2-methanimidoylphenyl)-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethyl]azanium
SMILES[H]/N=C/c1cc(C(N)=O)ccc1[NH2+]CCNC1=NCCCC1
InChIInChI=1S/C15H21N5O/c16-10-12-9-11(15(17)21)4-5-13(12)18-7-8-20-14-3-1-2-6-19-14/h4-5,9-10,16,18H,1-3,6-8H2,(H2,17,21)(H,19,20)/p+1/b16-10+
InChIKeyZMNALRFGBCTLRG-MHWRWJLKSA-O
MW288.38 g/mol
LogP0.15
Rot. Bonds6

About (4-carbamoyl-2-methanimidoylphenyl)-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethyl]azanium

(4-carbamoyl-2-methanimidoylphenyl)-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethyl]azanium (PubChem CID 142000998) has the molecular formula C15H22N5O+ and a molecular weight of 288.38 g/mol. Its IUPAC name is (4-carbamoyl-2-methanimidoylphenyl)-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethyl]azanium.

Molecular Properties

Compound Name(4-carbamoyl-2-methanimidoylphenyl)-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethyl]azanium
PubChem CID142000998
Molecular FormulaC15H22N5O+
Molecular Weight288.38 g/mol
Exact Mass288.18
IUPAC Name(4-carbamoyl-2-methanimidoylphenyl)-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethyl]azanium
SMILES[H]/N=C/c1cc(C(N)=O)ccc1[NH2+]CCNC1=NCCCC1
InChIInChI=1S/C15H21N5O/c16-10-12-9-11(15(17)21)4-5-13(12)18-7-8-20-14-3-1-2-6-19-14/h4-5,9-10,16,18H,1-3,6-8H2,(H2,17,21)(H,19,20)/p+1/b16-10+
InChIKeyZMNALRFGBCTLRG-MHWRWJLKSA-O
XLogP0.15
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-carbamoyl-2-methanimidoylphenyl)-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethyl]azanium?
The IUPAC name of (4-carbamoyl-2-methanimidoylphenyl)-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethyl]azanium (CID 142000998) is (4-carbamoyl-2-methanimidoylphenyl)-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethyl]azanium.
What is the SMILES notation for (4-carbamoyl-2-methanimidoylphenyl)-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethyl]azanium?
The canonical SMILES for (4-carbamoyl-2-methanimidoylphenyl)-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethyl]azanium is [H]/N=C/c1cc(C(N)=O)ccc1[NH2+]CCNC1=NCCCC1.
What is the InChIKey of (4-carbamoyl-2-methanimidoylphenyl)-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethyl]azanium?
The InChIKey is ZMNALRFGBCTLRG-MHWRWJLKSA-O. The full InChI is InChI=1S/C15H21N5O/c16-10-12-9-11(15(17)21)4-5-13(12)18-7-8-20-14-3-1-2-6-19-14/h4-5,9-10,16,18H,1-3,6-8H2,(H2,17,21)(H,19,20)/p+1/b16-10+.
What are the key properties of (4-carbamoyl-2-methanimidoylphenyl)-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethyl]azanium?
(4-carbamoyl-2-methanimidoylphenyl)-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethyl]azanium has a molecular weight of 288.38 g/mol, XLogP of 0.15, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbamoyl-2-methanimidoylphenyl)-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethyl]azanium is sourced from PubChem (CID 142000998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).