N-[1-(2-methyl-4-pyridinyl)ethenyl]-2-[4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]prop-2-en-1-amine

C27H31N5O — CID 143955763

IUPACN-[1-(2-methyl-4-pyridinyl)ethenyl]-2-[4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]prop-2-en-1-amine
SMILESC=C(NCC(=C)N1CCN(c2ccc(OCc3ccccc3)cn2)CC1)c1ccnc(C)c1
InChIInChI=1S/C27H31N5O/c1-21-17-25(11-12-28-21)23(3)29-18-22(2)31-13-15-32(16-14-31)27-10-9-26(19-30-27)33-20-24-7-5-4-6-8-24/h4-12,17,19,29H,2-3,13-16,18,20H2,1H3
InChIKeyZZEYIWNEJJFPHY-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.26
Rot. Bonds9

About N-[1-(2-methyl-4-pyridinyl)ethenyl]-2-[4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]prop-2-en-1-amine

N-[1-(2-methyl-4-pyridinyl)ethenyl]-2-[4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]prop-2-en-1-amine (PubChem CID 143955763) has the molecular formula C27H31N5O and a molecular weight of 441.58 g/mol. Its IUPAC name is N-[1-(2-methyl-4-pyridinyl)ethenyl]-2-[4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(2-methyl-4-pyridinyl)ethenyl]-2-[4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]prop-2-en-1-amine
PubChem CID143955763
Molecular FormulaC27H31N5O
Molecular Weight441.58 g/mol
Exact Mass441.25
IUPAC NameN-[1-(2-methyl-4-pyridinyl)ethenyl]-2-[4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]prop-2-en-1-amine
SMILESC=C(NCC(=C)N1CCN(c2ccc(OCc3ccccc3)cn2)CC1)c1ccnc(C)c1
InChIInChI=1S/C27H31N5O/c1-21-17-25(11-12-28-21)23(3)29-18-22(2)31-13-15-32(16-14-31)27-10-9-26(19-30-27)33-20-24-7-5-4-6-8-24/h4-12,17,19,29H,2-3,13-16,18,20H2,1H3
InChIKeyZZEYIWNEJJFPHY-UHFFFAOYSA-N
XLogP4.26
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-[4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]ethyl] carbamate
CID 67376976
2-iodo-N-[2-oxo-2-[4-(5-phenylmethoxypyrimidin-2-yl)piperazin-1-yl]ethyl]pyridine-4-carboxamide
CID 53378312
2-bromo-5-phenylmethoxypyridine;tert-butyl 4-(5-phenylmethoxy-2-pyridinyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate
CID 158804700
2-bromo-N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide
CID 58462380
N'-methyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111221417
(E)-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 108755409
N-(4-phenylmethoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109152128
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylmethoxybenzamide
CID 18283258
N-(4-phenylmethoxyphenyl)-6-piperidin-1-ylpyridine-3-carboxamide
CID 109152321
[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 46656199
4-[[[4-(5-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122019942
N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide
CID 143955756

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-4-pyridinyl)ethenyl]-2-[4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]prop-2-en-1-amine?
The IUPAC name of N-[1-(2-methyl-4-pyridinyl)ethenyl]-2-[4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]prop-2-en-1-amine (CID 143955763) is N-[1-(2-methyl-4-pyridinyl)ethenyl]-2-[4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]prop-2-en-1-amine.
What is the SMILES notation for N-[1-(2-methyl-4-pyridinyl)ethenyl]-2-[4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]prop-2-en-1-amine?
The canonical SMILES for N-[1-(2-methyl-4-pyridinyl)ethenyl]-2-[4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]prop-2-en-1-amine is C=C(NCC(=C)N1CCN(c2ccc(OCc3ccccc3)cn2)CC1)c1ccnc(C)c1.
What is the InChIKey of N-[1-(2-methyl-4-pyridinyl)ethenyl]-2-[4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]prop-2-en-1-amine?
The InChIKey is ZZEYIWNEJJFPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O/c1-21-17-25(11-12-28-21)23(3)29-18-22(2)31-13-15-32(16-14-31)27-10-9-26(19-30-27)33-20-24-7-5-4-6-8-24/h4-12,17,19,29H,2-3,13-16,18,20H2,1H3.
What are the key properties of N-[1-(2-methyl-4-pyridinyl)ethenyl]-2-[4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]prop-2-en-1-amine?
N-[1-(2-methyl-4-pyridinyl)ethenyl]-2-[4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]prop-2-en-1-amine has a molecular weight of 441.58 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-4-pyridinyl)ethenyl]-2-[4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]prop-2-en-1-amine is sourced from PubChem (CID 143955763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).