4-N,4-N-dimethyl-1-N-[5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-2-pyridinyl]benzene-1,4-diamine

C24H28N4O — CID 44573576

IUPAC4-N,4-N-dimethyl-1-N-[5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-2-pyridinyl]benzene-1,4-diamine
SMILESCN(C)c1ccc(Nc2ccc(CN3CCO[C@@H](c4ccccc4)C3)cn2)cc1
InChIInChI=1S/C24H28N4O/c1-27(2)22-11-9-21(10-12-22)26-24-13-8-19(16-25-24)17-28-14-15-29-23(18-28)20-6-4-3-5-7-20/h3-13,16,23H,14-15,17-18H2,1-2H3,(H,25,26)/t23-/m1/s1
InChIKeyIWVCRBNZZHWEBR-HSZRJFAPSA-N
MW388.52 g/mol
LogP4.46
Rot. Bonds6

About 4-N,4-N-dimethyl-1-N-[5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-2-pyridinyl]benzene-1,4-diamine

4-N,4-N-dimethyl-1-N-[5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-2-pyridinyl]benzene-1,4-diamine (PubChem CID 44573576) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-[5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-2-pyridinyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-[5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-2-pyridinyl]benzene-1,4-diamine
PubChem CID44573576
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name4-N,4-N-dimethyl-1-N-[5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-2-pyridinyl]benzene-1,4-diamine
SMILESCN(C)c1ccc(Nc2ccc(CN3CCO[C@@H](c4ccccc4)C3)cn2)cc1
InChIInChI=1S/C24H28N4O/c1-27(2)22-11-9-21(10-12-22)26-24-13-8-19(16-25-24)17-28-14-15-29-23(18-28)20-6-4-3-5-7-20/h3-13,16,23H,14-15,17-18H2,1-2H3,(H,25,26)/t23-/m1/s1
InChIKeyIWVCRBNZZHWEBR-HSZRJFAPSA-N
XLogP4.46
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-N,4-N-dimethyl-1-N-[5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-2-pyridinyl]benzene-1,4-diamine with MolForge

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Related Compounds

6-[(Benzyloxy)methyl]-5-{4-[(pyridin-4-ylmethyl)amino]phenyl}pyrimidine-2,4-diamine
CID 11327400
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 62
CID 5330248
PF-592379
CID 10263487
N*2*-(2-Phenoxy-ethyl)-N*4*-((S)-1-phenyl-ethyl)-pyridine-2,4-diamine
CID 44393073
N*4*-(2-Phenoxy-ethyl)-N*2*-((S)-1-phenyl-ethyl)-pyridine-2,4-diamine
CID 44393192
1-[2-[bis(4-Fluorophenyl)methoxy]ethyl]-4-(pyridinyl)-piperazine
CID 4913097
2-(3-phenyl-3H-spiro[isobenzofuran-1,4''-piperidine]-1''-yl)pyridin-4-amine
CID 16730656
(16E)-19-methyl-14-oxa-5,7,19,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene
CID 16739949
(16E)-14-methyl-19-oxa-5,7,14,23,27-pentazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene
CID 16739951
(S)-N-(4-methoxyphenyl)-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24771838
(S)-N-phenyl-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24954444
(S)-N-(2-chlorophenyl)-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24954806

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-[5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-2-pyridinyl]benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-[5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-2-pyridinyl]benzene-1,4-diamine (CID 44573576) is 4-N,4-N-dimethyl-1-N-[5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-2-pyridinyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-[5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-2-pyridinyl]benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-[5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-2-pyridinyl]benzene-1,4-diamine is CN(C)c1ccc(Nc2ccc(CN3CCO[C@@H](c4ccccc4)C3)cn2)cc1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-[5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-2-pyridinyl]benzene-1,4-diamine?
The InChIKey is IWVCRBNZZHWEBR-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H28N4O/c1-27(2)22-11-9-21(10-12-22)26-24-13-8-19(16-25-24)17-28-14-15-29-23(18-28)20-6-4-3-5-7-20/h3-13,16,23H,14-15,17-18H2,1-2H3,(H,25,26)/t23-/m1/s1.
What are the key properties of 4-N,4-N-dimethyl-1-N-[5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-2-pyridinyl]benzene-1,4-diamine?
4-N,4-N-dimethyl-1-N-[5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-2-pyridinyl]benzene-1,4-diamine has a molecular weight of 388.52 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-[5-[[(2S)-2-phenylmorpholin-4-yl]methyl]-2-pyridinyl]benzene-1,4-diamine is sourced from PubChem (CID 44573576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).