(E)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide

C19H22N4O2 — CID 60556286

IUPAC(E)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)/C=C/c2ccncc2)cc1
InChIInChI=1S/C19H22N4O2/c1-14(2)22-19(25)23-17-6-3-16(4-7-17)13-21-18(24)8-5-15-9-11-20-12-10-15/h3-12,14H,13H2,1-2H3,(H,21,24)(H2,22,23,25)/b8-5+
InChIKeyDYTNJANHBJUNLF-VMPITWQZSA-N
MW338.41 g/mol
LogP2.94
Rot. Bonds6

About (E)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide

(E)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide (PubChem CID 60556286) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (E)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide
PubChem CID60556286
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(E)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)/C=C/c2ccncc2)cc1
InChIInChI=1S/C19H22N4O2/c1-14(2)22-19(25)23-17-6-3-16(4-7-17)13-21-18(24)8-5-15-9-11-20-12-10-15/h3-12,14H,13H2,1-2H3,(H,21,24)(H2,22,23,25)/b8-5+
InChIKeyDYTNJANHBJUNLF-VMPITWQZSA-N
XLogP2.94
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloro-5-methoxy-4-propoxyphenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]prop-2-enamide
CID 55706399
(E)-3-(4-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]prop-2-enamide
CID 38175849
(E)-3-[4-[(propan-2-ylcarbamoylamino)methyl]phenyl]prop-2-enoic acid
CID 109375013
(E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 34908465
3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 895858
4-[[(E)-3-(4-acetamidophenyl)prop-2-enoyl]amino]-N-(pyridin-4-ylmethyl)benzamide
CID 91650936
4-[3-(4-acetamidophenyl)prop-2-enoylamino]-N-(pyridin-4-ylmethyl)benzamide
CID 126807088
2-amino-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide;hydrochloride
CID 119293088
(E)-N-ethyl-3-pyridin-4-ylprop-2-enamide
CID 131236538
1-[4-[(benzylcarbamothioylamino)methyl]phenyl]-3-propan-2-ylurea
CID 43077296
2-methyl-3-(methylamino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
CID 119730362
(E)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-4-ylprop-2-enamide
CID 87045434

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide (CID 60556286) is (E)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide is CC(C)NC(=O)Nc1ccc(CNC(=O)/C=C/c2ccncc2)cc1.
What is the InChIKey of (E)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide?
The InChIKey is DYTNJANHBJUNLF-VMPITWQZSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14(2)22-19(25)23-17-6-3-16(4-7-17)13-21-18(24)8-5-15-9-11-20-12-10-15/h3-12,14H,13H2,1-2H3,(H,21,24)(H2,22,23,25)/b8-5+.
What are the key properties of (E)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide?
(E)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide has a molecular weight of 338.41 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 60556286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).