2-[[ethylamino-(6-methylheptan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide

C18H31N5O — CID 111173723

IUPAC2-[[ethylamino-(6-methylheptan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide
SMILESCCN/C(=N\CC(=O)Nc1cccnc1)NC(C)CCCC(C)C
InChIInChI=1S/C18H31N5O/c1-5-20-18(22-15(4)9-6-8-14(2)3)21-13-17(24)23-16-10-7-11-19-12-16/h7,10-12,14-15H,5-6,8-9,13H2,1-4H3,(H,23,24)(H2,20,21,22)
InChIKeyRQPSAQAXRMECEW-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.79
Rot. Bonds9

About 2-[[ethylamino-(6-methylheptan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide

2-[[ethylamino-(6-methylheptan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide (PubChem CID 111173723) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-[[ethylamino-(6-methylheptan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[[ethylamino-(6-methylheptan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide
PubChem CID111173723
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name2-[[ethylamino-(6-methylheptan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide
SMILESCCN/C(=N\CC(=O)Nc1cccnc1)NC(C)CCCC(C)C
InChIInChI=1S/C18H31N5O/c1-5-20-18(22-15(4)9-6-8-14(2)3)21-13-17(24)23-16-10-7-11-19-12-16/h7,10-12,14-15H,5-6,8-9,13H2,1-4H3,(H,23,24)(H2,20,21,22)
InChIKeyRQPSAQAXRMECEW-UHFFFAOYSA-N
XLogP2.79
TPSA78.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.79
H-Bond Donors ≤ 53
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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Related Compounds

2-[[ethylamino-(propan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111127008
2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111234473
2-[[N'-methyl-N-(6-methylheptan-2-yl)carbamimidoyl]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111173837
2-[[ethylamino-(prop-2-enylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 110981371
2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111001350
2-[[[2-(4-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111196132
2-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111648744
2-[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111191237
1-(7-methyloctan-3-yl)-3-pyridin-3-ylurea
CID 167246935
2-[[ethylamino-(3-methylbutylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 110977936
N'-[(2R)-heptan-2-yl]-N-pyridin-3-ylbutanediamide
CID 40595898
2-[[ethylamino-[2-(4-methylphenoxy)ethylamino]methylidene]amino]-N-pyridin-3-ylacetamide
CID 111276475

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-(6-methylheptan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[[ethylamino-(6-methylheptan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide (CID 111173723) is 2-[[ethylamino-(6-methylheptan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[[ethylamino-(6-methylheptan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[[ethylamino-(6-methylheptan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide is CCN/C(=N\CC(=O)Nc1cccnc1)NC(C)CCCC(C)C.
What is the InChIKey of 2-[[ethylamino-(6-methylheptan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide?
The InChIKey is RQPSAQAXRMECEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-5-20-18(22-15(4)9-6-8-14(2)3)21-13-17(24)23-16-10-7-11-19-12-16/h7,10-12,14-15H,5-6,8-9,13H2,1-4H3,(H,23,24)(H2,20,21,22).
What are the key properties of 2-[[ethylamino-(6-methylheptan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide?
2-[[ethylamino-(6-methylheptan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide has a molecular weight of 333.48 g/mol, XLogP of 2.79, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-(6-methylheptan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 111173723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).