N-[[4-[(2-prop-1-en-2-yl-4-pyridinyl)methyl]phenyl]methyl]prop-1-en-2-amine

C19H22N2 — CID 144581577

IUPACN-[[4-[(2-prop-1-en-2-yl-4-pyridinyl)methyl]phenyl]methyl]prop-1-en-2-amine
SMILESC=C(C)NCc1ccc(Cc2ccnc(C(=C)C)c2)cc1
InChIInChI=1S/C19H22N2/c1-14(2)19-12-18(9-10-20-19)11-16-5-7-17(8-6-16)13-21-15(3)4/h5-10,12,21H,1,3,11,13H2,2,4H3
InChIKeyBNWSLJYRFUAPNR-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.33
Rot. Bonds6

About N-[[4-[(2-prop-1-en-2-yl-4-pyridinyl)methyl]phenyl]methyl]prop-1-en-2-amine

N-[[4-[(2-prop-1-en-2-yl-4-pyridinyl)methyl]phenyl]methyl]prop-1-en-2-amine (PubChem CID 144581577) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[[4-[(2-prop-1-en-2-yl-4-pyridinyl)methyl]phenyl]methyl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-[[4-[(2-prop-1-en-2-yl-4-pyridinyl)methyl]phenyl]methyl]prop-1-en-2-amine
PubChem CID144581577
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC NameN-[[4-[(2-prop-1-en-2-yl-4-pyridinyl)methyl]phenyl]methyl]prop-1-en-2-amine
SMILESC=C(C)NCc1ccc(Cc2ccnc(C(=C)C)c2)cc1
InChIInChI=1S/C19H22N2/c1-14(2)19-12-18(9-10-20-19)11-16-5-7-17(8-6-16)13-21-15(3)4/h5-10,12,21H,1,3,11,13H2,2,4H3
InChIKeyBNWSLJYRFUAPNR-UHFFFAOYSA-N
XLogP4.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-[(2-prop-1-en-2-yl-4-pyridinyl)methyl]phenyl]methyl]prop-1-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(4-ethylphenyl)methyl]-2-pyridinyl]-N,N-dimethylethenamine
CID 144581566
1-[4-[[2-(C,N-dimethylcarbonimidoyl)-4-pyridinyl]methyl]-2-pyridinyl]-N-methylethanimine
CID 170242634
4-[(4-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 66612711
N-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienylmethyl)prop-1-en-2-amine
CID 143932431
N-[(4-methoxyphenyl)methyl]-4-methylpyridine-2-carboxamide
CID 110851612
N-[[3-(aminomethyl)phenyl]methyl]prop-1-en-2-amine
CID 20647301
4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 7802633
N'-hydroxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]pyridine-2-carboximidamide
CID 136987934
4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-2-carboxylic acid
CID 160827228
4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 43088257
4-tert-butyl-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 20627948
N-[(Z)-1-[4-[(6-methyl-3-pyridinyl)methyl]-2-pyridinyl]prop-1-enyl]ethanimine
CID 170184580

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-prop-1-en-2-yl-4-pyridinyl)methyl]phenyl]methyl]prop-1-en-2-amine?
The IUPAC name of N-[[4-[(2-prop-1-en-2-yl-4-pyridinyl)methyl]phenyl]methyl]prop-1-en-2-amine (CID 144581577) is N-[[4-[(2-prop-1-en-2-yl-4-pyridinyl)methyl]phenyl]methyl]prop-1-en-2-amine.
What is the SMILES notation for N-[[4-[(2-prop-1-en-2-yl-4-pyridinyl)methyl]phenyl]methyl]prop-1-en-2-amine?
The canonical SMILES for N-[[4-[(2-prop-1-en-2-yl-4-pyridinyl)methyl]phenyl]methyl]prop-1-en-2-amine is C=C(C)NCc1ccc(Cc2ccnc(C(=C)C)c2)cc1.
What is the InChIKey of N-[[4-[(2-prop-1-en-2-yl-4-pyridinyl)methyl]phenyl]methyl]prop-1-en-2-amine?
The InChIKey is BNWSLJYRFUAPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-14(2)19-12-18(9-10-20-19)11-16-5-7-17(8-6-16)13-21-15(3)4/h5-10,12,21H,1,3,11,13H2,2,4H3.
What are the key properties of N-[[4-[(2-prop-1-en-2-yl-4-pyridinyl)methyl]phenyl]methyl]prop-1-en-2-amine?
N-[[4-[(2-prop-1-en-2-yl-4-pyridinyl)methyl]phenyl]methyl]prop-1-en-2-amine has a molecular weight of 278.40 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-prop-1-en-2-yl-4-pyridinyl)methyl]phenyl]methyl]prop-1-en-2-amine is sourced from PubChem (CID 144581577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).