(Z)-2-cyano-N-(3-ethoxypropyl)-3-(pyrimidin-2-ylamino)prop-2-enamide

C13H17N5O2 — CID 108834066

IUPAC(Z)-2-cyano-N-(3-ethoxypropyl)-3-(pyrimidin-2-ylamino)prop-2-enamide
SMILESCCOCCCNC(=O)/C(C#N)=C\Nc1ncccn1
InChIInChI=1S/C13H17N5O2/c1-2-20-8-4-7-15-12(19)11(9-14)10-18-13-16-5-3-6-17-13/h3,5-6,10H,2,4,7-8H2,1H3,(H,15,19)(H,16,17,18)/b11-10-
InChIKeyCUGHGCCCPWDWIK-KHPPLWFESA-N
MW275.31 g/mol
LogP0.84
Rot. Bonds8

About (Z)-2-cyano-N-(3-ethoxypropyl)-3-(pyrimidin-2-ylamino)prop-2-enamide

(Z)-2-cyano-N-(3-ethoxypropyl)-3-(pyrimidin-2-ylamino)prop-2-enamide (PubChem CID 108834066) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is (Z)-2-cyano-N-(3-ethoxypropyl)-3-(pyrimidin-2-ylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(3-ethoxypropyl)-3-(pyrimidin-2-ylamino)prop-2-enamide
PubChem CID108834066
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name(Z)-2-cyano-N-(3-ethoxypropyl)-3-(pyrimidin-2-ylamino)prop-2-enamide
SMILESCCOCCCNC(=O)/C(C#N)=C\Nc1ncccn1
InChIInChI=1S/C13H17N5O2/c1-2-20-8-4-7-15-12(19)11(9-14)10-18-13-16-5-3-6-17-13/h3,5-6,10H,2,4,7-8H2,1H3,(H,15,19)(H,16,17,18)/b11-10-
InChIKeyCUGHGCCCPWDWIK-KHPPLWFESA-N
XLogP0.84
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)-N-(3-butoxypropyl)-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide
CID 108837152
(Z)-2-cyano-3-(2,3-dichloroanilino)-N-(3-ethoxypropyl)prop-2-enamide
CID 108833942
(Z)-2-cyano-N-(3-methoxypropyl)-3-(pyridin-2-ylamino)prop-2-enamide
CID 108836709
(Z)-2-cyano-N-(3-ethoxypropyl)-3-(3-formamidopropylamino)prop-2-enamide
CID 108834142
(Z)-3-(2-bromo-4-methylanilino)-2-cyano-N-(3-ethoxypropyl)prop-2-enamide
CID 108834219
(Z)-3-(2-amino-4-methylanilino)-2-cyano-N-(3-ethoxypropyl)prop-2-enamide
CID 108834231
(Z)-2-cyano-N-(3-ethoxypropyl)-3-(2-methoxy-5-methylanilino)prop-2-enamide
CID 108834031
(E)-2-cyano-N-(3-ethoxypropyl)-3-quinoxalin-2-ylprop-2-enamide
CID 9353270
(Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(3-ethoxypropyl)prop-2-enamide
CID 108834093
(Z)-2-cyano-3-(3-ethoxypropylamino)-N-(2-methoxyethyl)prop-2-enamide
CID 108833226
(E)-2-cyano-N-(3-ethoxypropyl)-3-(2-fluorophenyl)prop-2-enamide
CID 2424258
(Z)-2-cyano-3-[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]-N-(3-ethoxypropyl)prop-2-enamide
CID 99879624

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(3-ethoxypropyl)-3-(pyrimidin-2-ylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(3-ethoxypropyl)-3-(pyrimidin-2-ylamino)prop-2-enamide (CID 108834066) is (Z)-2-cyano-N-(3-ethoxypropyl)-3-(pyrimidin-2-ylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(3-ethoxypropyl)-3-(pyrimidin-2-ylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(3-ethoxypropyl)-3-(pyrimidin-2-ylamino)prop-2-enamide is CCOCCCNC(=O)/C(C#N)=C\Nc1ncccn1.
What is the InChIKey of (Z)-2-cyano-N-(3-ethoxypropyl)-3-(pyrimidin-2-ylamino)prop-2-enamide?
The InChIKey is CUGHGCCCPWDWIK-KHPPLWFESA-N. The full InChI is InChI=1S/C13H17N5O2/c1-2-20-8-4-7-15-12(19)11(9-14)10-18-13-16-5-3-6-17-13/h3,5-6,10H,2,4,7-8H2,1H3,(H,15,19)(H,16,17,18)/b11-10-.
What are the key properties of (Z)-2-cyano-N-(3-ethoxypropyl)-3-(pyrimidin-2-ylamino)prop-2-enamide?
(Z)-2-cyano-N-(3-ethoxypropyl)-3-(pyrimidin-2-ylamino)prop-2-enamide has a molecular weight of 275.31 g/mol, XLogP of 0.84, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(3-ethoxypropyl)-3-(pyrimidin-2-ylamino)prop-2-enamide is sourced from PubChem (CID 108834066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).