N-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]pyridine-3-carboxamide

C18H29N5O — CID 111255717

IUPACN-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]pyridine-3-carboxamide
SMILESCCN/C(=N\CCNC(=O)c1cccnc1)NC1CCC(C)CC1
InChIInChI=1S/C18H29N5O/c1-3-20-18(23-16-8-6-14(2)7-9-16)22-12-11-21-17(24)15-5-4-10-19-13-15/h4-5,10,13-14,16H,3,6-9,11-12H2,1-2H3,(H,21,24)(H2,20,22,23)
InChIKeyMIUISGOXGZWGNZ-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.95
Rot. Bonds6

About N-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]pyridine-3-carboxamide

N-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]pyridine-3-carboxamide (PubChem CID 111255717) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]pyridine-3-carboxamide
PubChem CID111255717
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC NameN-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]pyridine-3-carboxamide
SMILESCCN/C(=N\CCNC(=O)c1cccnc1)NC1CCC(C)CC1
InChIInChI=1S/C18H29N5O/c1-3-20-18(23-16-8-6-14(2)7-9-16)22-12-11-21-17(24)15-5-4-10-19-13-15/h4-5,10,13-14,16H,3,6-9,11-12H2,1-2H3,(H,21,24)(H2,20,22,23)
InChIKeyMIUISGOXGZWGNZ-UHFFFAOYSA-N
XLogP1.95
TPSA78.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]ethyl]benzamide;hydroiodide
CID 110988293
N-[2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]ethyl]pyridine-3-carboxamide
CID 111000715
N-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]acetamide;hydroiodide
CID 111256916
N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]-3-methylbenzamide
CID 110992709
3-[[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]methyl]-N-propylbenzamide;hydroiodide
CID 111257024
N-[2-[[ethylamino-(2-phenoxyethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111004866
N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111234908
4-chloro-N-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]benzamide
CID 111189216
3-bromo-N-[3-[[(cyclopropylamino)-(ethylamino)methylidene]amino]propyl]benzamide
CID 110988762
N-(4-ethylcyclohexyl)pyridine-3-carboxamide
CID 25237064
N-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 175209394
N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]benzamide
CID 111961317

Frequently Asked Questions

What is the IUPAC name of N-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]pyridine-3-carboxamide (CID 111255717) is N-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]pyridine-3-carboxamide is CCN/C(=N\CCNC(=O)c1cccnc1)NC1CCC(C)CC1.
What is the InChIKey of N-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]pyridine-3-carboxamide?
The InChIKey is MIUISGOXGZWGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-3-20-18(23-16-8-6-14(2)7-9-16)22-12-11-21-17(24)15-5-4-10-19-13-15/h4-5,10,13-14,16H,3,6-9,11-12H2,1-2H3,(H,21,24)(H2,20,22,23).
What are the key properties of N-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]pyridine-3-carboxamide?
N-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]pyridine-3-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 111255717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).