3-imidazol-1-yl-2-[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]-N-(pyridin-4-ylmethyl)propanamide

C25H23N5O2 — CID 154631901

IUPAC3-imidazol-1-yl-2-[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]-N-(pyridin-4-ylmethyl)propanamide
SMILESO=C(/C=C/c1ccc2ccccc2c1)NC(Cn1ccnc1)C(=O)NCc1ccncc1
InChIInChI=1S/C25H23N5O2/c31-24(8-6-19-5-7-21-3-1-2-4-22(21)15-19)29-23(17-30-14-13-27-18-30)25(32)28-16-20-9-11-26-12-10-20/h1-15,18,23H,16-17H2,(H,28,32)(H,29,31)/b8-6+
InChIKeyKXVKNRDPDFZEDN-SOFGYWHQSA-N
MW425.49 g/mol
LogP2.95
Rot. Bonds8

About 3-imidazol-1-yl-2-[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]-N-(pyridin-4-ylmethyl)propanamide

3-imidazol-1-yl-2-[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 154631901) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 3-imidazol-1-yl-2-[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-imidazol-1-yl-2-[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]-N-(pyridin-4-ylmethyl)propanamide
PubChem CID154631901
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name3-imidazol-1-yl-2-[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]-N-(pyridin-4-ylmethyl)propanamide
SMILESO=C(/C=C/c1ccc2ccccc2c1)NC(Cn1ccnc1)C(=O)NCc1ccncc1
InChIInChI=1S/C25H23N5O2/c31-24(8-6-19-5-7-21-3-1-2-4-22(21)15-19)29-23(17-30-14-13-27-18-30)25(32)28-16-20-9-11-26-12-10-20/h1-15,18,23H,16-17H2,(H,28,32)(H,29,31)/b8-6+
InChIKeyKXVKNRDPDFZEDN-SOFGYWHQSA-N
XLogP2.95
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(1-imidazol-1-yl-3-phenylpropan-2-yl)-3-naphthalen-1-ylprop-2-enamide
CID 155683411
3-(4-chlorophenyl)-N-[1,3-di(imidazol-1-yl)propan-2-yl]prop-2-enamide
CID 155663270
(E)-N-(4-imidazol-1-ylbutyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
CID 166204567
methyl (2S)-3-hydroxy-2-[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]propanoate
CID 175887307
(E)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide
CID 34906993
(2S)-N-(2-imidazol-1-ylethyl)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 94649304
(E)-3-(3-bromophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 2458192
1-[(E)-4-naphthalen-2-ylbut-3-enyl]imidazole
CID 12973087
(E)-3-(4-ethylphenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 24650019
(2S)-N-benzyl-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724767
(E)-3-naphthalen-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]prop-2-enamide
CID 166217284
N-hydroxy-3-naphthalen-2-ylprop-2-enamide
CID 54114861

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-2-[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-imidazol-1-yl-2-[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]-N-(pyridin-4-ylmethyl)propanamide (CID 154631901) is 3-imidazol-1-yl-2-[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-imidazol-1-yl-2-[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-imidazol-1-yl-2-[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]-N-(pyridin-4-ylmethyl)propanamide is O=C(/C=C/c1ccc2ccccc2c1)NC(Cn1ccnc1)C(=O)NCc1ccncc1.
What is the InChIKey of 3-imidazol-1-yl-2-[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is KXVKNRDPDFZEDN-SOFGYWHQSA-N. The full InChI is InChI=1S/C25H23N5O2/c31-24(8-6-19-5-7-21-3-1-2-4-22(21)15-19)29-23(17-30-14-13-27-18-30)25(32)28-16-20-9-11-26-12-10-20/h1-15,18,23H,16-17H2,(H,28,32)(H,29,31)/b8-6+.
What are the key properties of 3-imidazol-1-yl-2-[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]-N-(pyridin-4-ylmethyl)propanamide?
3-imidazol-1-yl-2-[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 425.49 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-2-[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 154631901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).