2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide

C14H23N5O2 — CID 111234473

IUPAC2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide
SMILESCCN/C(=N\CC(=O)Nc1cccnc1)NC(C)COC
InChIInChI=1S/C14H23N5O2/c1-4-16-14(18-11(2)10-21-3)17-9-13(20)19-12-6-5-7-15-8-12/h5-8,11H,4,9-10H2,1-3H3,(H,19,20)(H2,16,17,18)
InChIKeyHZLDCRJPQHHTHX-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.61
Rot. Bonds7

About 2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide

2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide (PubChem CID 111234473) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide
PubChem CID111234473
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide
SMILESCCN/C(=N\CC(=O)Nc1cccnc1)NC(C)COC
InChIInChI=1S/C14H23N5O2/c1-4-16-14(18-11(2)10-21-3)17-9-13(20)19-12-6-5-7-15-8-12/h5-8,11H,4,9-10H2,1-3H3,(H,19,20)(H2,16,17,18)
InChIKeyHZLDCRJPQHHTHX-UHFFFAOYSA-N
XLogP0.61
TPSA87.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(6-methylheptan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 111173723
2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111093023
N-[2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111234908
1-(1-methoxypropan-2-yl)-3-pyridin-3-ylurea
CID 51264614
2-[[ethylamino-(prop-2-enylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 110981371
2-[[ethylamino-[2-(4-methylphenoxy)ethylamino]methylidene]amino]-N-pyridin-3-ylacetamide
CID 111276475
N-[3-[[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]methyl]phenyl]butanamide
CID 111235021
2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-propylacetamide;hydroiodide
CID 111237098
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-[3-(4-fluorophenyl)sulfanylpropylamino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111310793

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide (CID 111234473) is 2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide is CCN/C(=N\CC(=O)Nc1cccnc1)NC(C)COC.
What is the InChIKey of 2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide?
The InChIKey is HZLDCRJPQHHTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-4-16-14(18-11(2)10-21-3)17-9-13(20)19-12-6-5-7-15-8-12/h5-8,11H,4,9-10H2,1-3H3,(H,19,20)(H2,16,17,18).
What are the key properties of 2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide?
2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide has a molecular weight of 293.37 g/mol, XLogP of 0.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 111234473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).