N'-[5-bromo-2-methyl-6-[(4-propan-2-ylcyclohexyl)amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide

C19H31BrN4 — CID 118034862

IUPACN'-[5-bromo-2-methyl-6-[(4-propan-2-ylcyclohexyl)amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(Br)c(NC2CCC(C(C)C)CC2)nc1C
InChIInChI=1S/C19H31BrN4/c1-6-24(5)12-21-18-11-17(20)19(22-14(18)4)23-16-9-7-15(8-10-16)13(2)3/h11-13,15-16H,6-10H2,1-5H3,(H,22,23)/b21-12+
InChIKeyZUFCFSNBRKAPAJ-CIAFOILYSA-N
MW395.39 g/mol
LogP5.39
Rot. Bonds6

About N'-[5-bromo-2-methyl-6-[(4-propan-2-ylcyclohexyl)amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide

N'-[5-bromo-2-methyl-6-[(4-propan-2-ylcyclohexyl)amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 118034862) has the molecular formula C19H31BrN4 and a molecular weight of 395.39 g/mol. Its IUPAC name is N'-[5-bromo-2-methyl-6-[(4-propan-2-ylcyclohexyl)amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[5-bromo-2-methyl-6-[(4-propan-2-ylcyclohexyl)amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
PubChem CID118034862
Molecular FormulaC19H31BrN4
Molecular Weight395.39 g/mol
Exact Mass394.17
IUPAC NameN'-[5-bromo-2-methyl-6-[(4-propan-2-ylcyclohexyl)amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(Br)c(NC2CCC(C(C)C)CC2)nc1C
InChIInChI=1S/C19H31BrN4/c1-6-24(5)12-21-18-11-17(20)19(22-14(18)4)23-16-9-7-15(8-10-16)13(2)3/h11-13,15-16H,6-10H2,1-5H3,(H,22,23)/b21-12+
InChIKeyZUFCFSNBRKAPAJ-CIAFOILYSA-N
XLogP5.39
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.39
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[5-bromo-2-methyl-6-[(4-propan-2-ylcyclohexyl)amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[5-bromo-2-methyl-6-[(4-propan-2-ylcyclohexyl)amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide (CID 118034862) is N'-[5-bromo-2-methyl-6-[(4-propan-2-ylcyclohexyl)amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[5-bromo-2-methyl-6-[(4-propan-2-ylcyclohexyl)amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[5-bromo-2-methyl-6-[(4-propan-2-ylcyclohexyl)amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(Br)c(NC2CCC(C(C)C)CC2)nc1C.
What is the InChIKey of N'-[5-bromo-2-methyl-6-[(4-propan-2-ylcyclohexyl)amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is ZUFCFSNBRKAPAJ-CIAFOILYSA-N. The full InChI is InChI=1S/C19H31BrN4/c1-6-24(5)12-21-18-11-17(20)19(22-14(18)4)23-16-9-7-15(8-10-16)13(2)3/h11-13,15-16H,6-10H2,1-5H3,(H,22,23)/b21-12+.
What are the key properties of N'-[5-bromo-2-methyl-6-[(4-propan-2-ylcyclohexyl)amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
N'-[5-bromo-2-methyl-6-[(4-propan-2-ylcyclohexyl)amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 395.39 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-bromo-2-methyl-6-[(4-propan-2-ylcyclohexyl)amino]-3-pyridinyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 118034862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).