5-(5-chloro-3H-pyridin-3-id-2-yl)-7H-pyrido[4,3-c]azepin-9-amine;ethane;3-methylnonane;uranium

C26H38ClN4U- — CID 167493079

IUPAC5-(5-chloro-3H-pyridin-3-id-2-yl)-7H-pyrido[4,3-c]azepin-9-amine;ethane;3-methylnonane;uranium
SMILESCC.CCCCCCC(C)CC.NC1=CCN=C(c2[c-]cc(Cl)cn2)c2ccncc21.[U]
InChIInChI=1S/C14H10ClN4.C10H22.C2H6.U/c15-9-1-2-13(19-7-9)14-10-3-5-17-8-11(10)12(16)4-6-18-14;1-4-6-7-8-9-10(3)5-2;1-2;/h1,3-5,7-8H,6,16H2;10H,4-9H2,1-3H3;1-2H3;/q-1;;;
InChIKeyXCKZVKYRGLUNAT-UHFFFAOYSA-N
MW680.10 g/mol
LogP7.11
Rot. Bonds7

About 5-(5-chloro-3H-pyridin-3-id-2-yl)-7H-pyrido[4,3-c]azepin-9-amine;ethane;3-methylnonane;uranium

5-(5-chloro-3H-pyridin-3-id-2-yl)-7H-pyrido[4,3-c]azepin-9-amine;ethane;3-methylnonane;uranium (PubChem CID 167493079) has the molecular formula C26H38ClN4U- and a molecular weight of 680.10 g/mol. Its IUPAC name is 5-(5-chloro-3H-pyridin-3-id-2-yl)-7H-pyrido[4,3-c]azepin-9-amine;ethane;3-methylnonane;uranium.

Molecular Properties

Compound Name5-(5-chloro-3H-pyridin-3-id-2-yl)-7H-pyrido[4,3-c]azepin-9-amine;ethane;3-methylnonane;uranium
PubChem CID167493079
Molecular FormulaC26H38ClN4U-
Molecular Weight680.10 g/mol
Exact Mass679.33
IUPAC Name5-(5-chloro-3H-pyridin-3-id-2-yl)-7H-pyrido[4,3-c]azepin-9-amine;ethane;3-methylnonane;uranium
SMILESCC.CCCCCCC(C)CC.NC1=CCN=C(c2[c-]cc(Cl)cn2)c2ccncc21.[U]
InChIInChI=1S/C14H10ClN4.C10H22.C2H6.U/c15-9-1-2-13(19-7-9)14-10-3-5-17-8-11(10)12(16)4-6-18-14;1-4-6-7-8-9-10(3)5-2;1-2;/h1,3-5,7-8H,6,16H2;10H,4-9H2,1-3H3;1-2H3;/q-1;;;
InChIKeyXCKZVKYRGLUNAT-UHFFFAOYSA-N
XLogP7.11
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.10
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 5-(5-chloro-3H-pyridin-3-id-2-yl)-7H-pyrido[4,3-c]azepin-9-amine;ethane;3-methylnonane;uranium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;5-[2-(1-fluoroethyl)-4-(trifluoromethyl)phenyl]-7H-pyrido[4,3-c]azepin-9-amine;2-methyloctane
CID 167492858
5-chloro-2-octan-2-ylpyridine
CID 130320586
hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048
3-methyldodecane
CID 28469
(3R)-3-methyltetracosane
CID 162842417
N-butyl-N-(7-methylnonyl)tetradecan-1-amine
CID 172562236
3,17-dimethylheptatriacontane
CID 6431061
3,13-dimethyltritriacontane
CID 6431058
3,13,19-trimethylheptatriacontane
CID 172565400
3,17-dimethylhentriacontane
CID 6431060

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-3H-pyridin-3-id-2-yl)-7H-pyrido[4,3-c]azepin-9-amine;ethane;3-methylnonane;uranium?
The IUPAC name of 5-(5-chloro-3H-pyridin-3-id-2-yl)-7H-pyrido[4,3-c]azepin-9-amine;ethane;3-methylnonane;uranium (CID 167493079) is 5-(5-chloro-3H-pyridin-3-id-2-yl)-7H-pyrido[4,3-c]azepin-9-amine;ethane;3-methylnonane;uranium.
What is the SMILES notation for 5-(5-chloro-3H-pyridin-3-id-2-yl)-7H-pyrido[4,3-c]azepin-9-amine;ethane;3-methylnonane;uranium?
The canonical SMILES for 5-(5-chloro-3H-pyridin-3-id-2-yl)-7H-pyrido[4,3-c]azepin-9-amine;ethane;3-methylnonane;uranium is CC.CCCCCCC(C)CC.NC1=CCN=C(c2[c-]cc(Cl)cn2)c2ccncc21.[U].
What is the InChIKey of 5-(5-chloro-3H-pyridin-3-id-2-yl)-7H-pyrido[4,3-c]azepin-9-amine;ethane;3-methylnonane;uranium?
The InChIKey is XCKZVKYRGLUNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN4.C10H22.C2H6.U/c15-9-1-2-13(19-7-9)14-10-3-5-17-8-11(10)12(16)4-6-18-14;1-4-6-7-8-9-10(3)5-2;1-2;/h1,3-5,7-8H,6,16H2;10H,4-9H2,1-3H3;1-2H3;/q-1;;;.
What are the key properties of 5-(5-chloro-3H-pyridin-3-id-2-yl)-7H-pyrido[4,3-c]azepin-9-amine;ethane;3-methylnonane;uranium?
5-(5-chloro-3H-pyridin-3-id-2-yl)-7H-pyrido[4,3-c]azepin-9-amine;ethane;3-methylnonane;uranium has a molecular weight of 680.10 g/mol, XLogP of 7.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-3H-pyridin-3-id-2-yl)-7H-pyrido[4,3-c]azepin-9-amine;ethane;3-methylnonane;uranium is sourced from PubChem (CID 167493079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).