(Z)-2-cyano-N-propyl-3-(pyridin-4-ylmethylamino)prop-2-enamide

C13H16N4O — CID 108820282

IUPAC(Z)-2-cyano-N-propyl-3-(pyridin-4-ylmethylamino)prop-2-enamide
SMILESCCCNC(=O)/C(C#N)=C\NCc1ccncc1
InChIInChI=1S/C13H16N4O/c1-2-5-17-13(18)12(8-14)10-16-9-11-3-6-15-7-4-11/h3-4,6-7,10,16H,2,5,9H2,1H3,(H,17,18)/b12-10-
InChIKeyIQPQUZVEGNHMSP-BENRWUELSA-N
MW244.30 g/mol
LogP1.10
Rot. Bonds6

About (Z)-2-cyano-N-propyl-3-(pyridin-4-ylmethylamino)prop-2-enamide

(Z)-2-cyano-N-propyl-3-(pyridin-4-ylmethylamino)prop-2-enamide (PubChem CID 108820282) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is (Z)-2-cyano-N-propyl-3-(pyridin-4-ylmethylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-propyl-3-(pyridin-4-ylmethylamino)prop-2-enamide
PubChem CID108820282
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name(Z)-2-cyano-N-propyl-3-(pyridin-4-ylmethylamino)prop-2-enamide
SMILESCCCNC(=O)/C(C#N)=C\NCc1ccncc1
InChIInChI=1S/C13H16N4O/c1-2-5-17-13(18)12(8-14)10-16-9-11-3-6-15-7-4-11/h3-4,6-7,10,16H,2,5,9H2,1H3,(H,17,18)/b12-10-
InChIKeyIQPQUZVEGNHMSP-BENRWUELSA-N
XLogP1.10
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-cyano-N-(2-methoxyethyl)-3-(pyridin-4-ylmethylamino)prop-2-enamide
CID 108833309
(Z)-N-(3-butoxypropyl)-2-cyano-3-(pyridin-4-ylmethylamino)prop-2-enamide
CID 108837020
3-[[(Z)-2-cyano-3-(pyridin-4-ylmethylamino)prop-2-enoyl]amino]propanoic acid
CID 108817672
3-(benzylamino)-2-cyano-N-ethylprop-2-enamide
CID 71410822
(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(pyridin-4-ylmethylamino)prop-2-enamide
CID 108855605
(Z)-3-(benzylamino)-N-(3-butoxypropyl)-2-cyanoprop-2-enamide
CID 108836959
ethyl 4-[[(Z)-2-cyano-3-(pyridin-4-ylmethylamino)prop-2-enoyl]amino]benzoate
CID 108824012
(Z)-2-cyano-3-[2-(4-fluorophenyl)ethylamino]-N-propylprop-2-enamide
CID 108820427
(Z)-2-cyano-N-(2-methoxyethyl)-3-[(4-methylphenyl)methylamino]prop-2-enamide
CID 108833308
4-[[(Z)-2-cyano-3-(pyridin-4-ylmethylamino)prop-2-enoyl]amino]benzenesulfonic acid
CID 108819164
(Z)-3-[(4-bromophenyl)methylamino]-N-(2-chloroethyl)-2-cyanoprop-2-enamide
CID 108854690
(Z)-2-cyano-N-(2-methyl-6-propan-2-ylphenyl)-3-(pyridin-4-ylmethylamino)prop-2-enamide
CID 108822520

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-propyl-3-(pyridin-4-ylmethylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-propyl-3-(pyridin-4-ylmethylamino)prop-2-enamide (CID 108820282) is (Z)-2-cyano-N-propyl-3-(pyridin-4-ylmethylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-propyl-3-(pyridin-4-ylmethylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-propyl-3-(pyridin-4-ylmethylamino)prop-2-enamide is CCCNC(=O)/C(C#N)=C\NCc1ccncc1.
What is the InChIKey of (Z)-2-cyano-N-propyl-3-(pyridin-4-ylmethylamino)prop-2-enamide?
The InChIKey is IQPQUZVEGNHMSP-BENRWUELSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-5-17-13(18)12(8-14)10-16-9-11-3-6-15-7-4-11/h3-4,6-7,10,16H,2,5,9H2,1H3,(H,17,18)/b12-10-.
What are the key properties of (Z)-2-cyano-N-propyl-3-(pyridin-4-ylmethylamino)prop-2-enamide?
(Z)-2-cyano-N-propyl-3-(pyridin-4-ylmethylamino)prop-2-enamide has a molecular weight of 244.30 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-propyl-3-(pyridin-4-ylmethylamino)prop-2-enamide is sourced from PubChem (CID 108820282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).