(Z)-2-cyano-N-(3-methoxypropyl)-3-(pyridin-2-ylamino)prop-2-enamide

C13H16N4O2 — CID 108836709

IUPAC(Z)-2-cyano-N-(3-methoxypropyl)-3-(pyridin-2-ylamino)prop-2-enamide
SMILESCOCCCNC(=O)/C(C#N)=C\Nc1ccccn1
InChIInChI=1S/C13H16N4O2/c1-19-8-4-7-16-13(18)11(9-14)10-17-12-5-2-3-6-15-12/h2-3,5-6,10H,4,7-8H2,1H3,(H,15,17)(H,16,18)/b11-10-
InChIKeyLUDGSDMRHNHJFI-KHPPLWFESA-N
MW260.30 g/mol
LogP1.05
Rot. Bonds7

About (Z)-2-cyano-N-(3-methoxypropyl)-3-(pyridin-2-ylamino)prop-2-enamide

(Z)-2-cyano-N-(3-methoxypropyl)-3-(pyridin-2-ylamino)prop-2-enamide (PubChem CID 108836709) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is (Z)-2-cyano-N-(3-methoxypropyl)-3-(pyridin-2-ylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(3-methoxypropyl)-3-(pyridin-2-ylamino)prop-2-enamide
PubChem CID108836709
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name(Z)-2-cyano-N-(3-methoxypropyl)-3-(pyridin-2-ylamino)prop-2-enamide
SMILESCOCCCNC(=O)/C(C#N)=C\Nc1ccccn1
InChIInChI=1S/C13H16N4O2/c1-19-8-4-7-16-13(18)11(9-14)10-17-12-5-2-3-6-15-12/h2-3,5-6,10H,4,7-8H2,1H3,(H,15,17)(H,16,18)/b11-10-
InChIKeyLUDGSDMRHNHJFI-KHPPLWFESA-N
XLogP1.05
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-[(4-chloro-2-pyridinyl)amino]-2-cyano-N-(3-methoxypropyl)prop-2-enamide
CID 108836870
(Z)-3-[(5-bromo-2-pyridinyl)amino]-2-cyano-N-(3-methoxypropyl)prop-2-enamide
CID 108836868
(Z)-3-[(4-bromo-2-pyridinyl)amino]-2-cyano-N-(2-methoxyethyl)prop-2-enamide
CID 108833533
(Z)-2-cyano-3-(2,6-diethylanilino)-N-(3-methoxypropyl)prop-2-enamide
CID 108836605
(Z)-2-cyano-N-(3-ethoxypropyl)-3-(pyrimidin-2-ylamino)prop-2-enamide
CID 108834066
(Z)-3-(3-acetylanilino)-2-cyano-N-(3-methoxypropyl)prop-2-enamide
CID 108836625
(Z)-2-cyano-3-[(5-hydroxynaphthalen-1-yl)amino]-N-(3-methoxypropyl)prop-2-enamide
CID 108836588
(Z)-2-cyano-3-(2,5-dimethylanilino)-N-(3-methoxypropyl)prop-2-enamide
CID 108836770
(2E,4E)-2-cyano-N-(3-methoxypropyl)-5-phenylpenta-2,4-dienamide
CID 6076664
(Z)-2-cyano-3-(3,4-dimethoxyanilino)-N-(3-methoxypropyl)prop-2-enamide
CID 108836513
(Z)-2-cyano-3-(2,4-dimethylanilino)-N-(3-methoxypropyl)prop-2-enamide
CID 108836628
(E)-2-cyano-N-(3-methoxypropyl)-3-quinoxalin-2-ylprop-2-enamide
CID 9365550

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(3-methoxypropyl)-3-(pyridin-2-ylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(3-methoxypropyl)-3-(pyridin-2-ylamino)prop-2-enamide (CID 108836709) is (Z)-2-cyano-N-(3-methoxypropyl)-3-(pyridin-2-ylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(3-methoxypropyl)-3-(pyridin-2-ylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(3-methoxypropyl)-3-(pyridin-2-ylamino)prop-2-enamide is COCCCNC(=O)/C(C#N)=C\Nc1ccccn1.
What is the InChIKey of (Z)-2-cyano-N-(3-methoxypropyl)-3-(pyridin-2-ylamino)prop-2-enamide?
The InChIKey is LUDGSDMRHNHJFI-KHPPLWFESA-N. The full InChI is InChI=1S/C13H16N4O2/c1-19-8-4-7-16-13(18)11(9-14)10-17-12-5-2-3-6-15-12/h2-3,5-6,10H,4,7-8H2,1H3,(H,15,17)(H,16,18)/b11-10-.
What are the key properties of (Z)-2-cyano-N-(3-methoxypropyl)-3-(pyridin-2-ylamino)prop-2-enamide?
(Z)-2-cyano-N-(3-methoxypropyl)-3-(pyridin-2-ylamino)prop-2-enamide has a molecular weight of 260.30 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(3-methoxypropyl)-3-(pyridin-2-ylamino)prop-2-enamide is sourced from PubChem (CID 108836709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).