3-[4-[2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-2-pyridinyl]propyl carbamate

C21H27N5O3 — CID 150980685

IUPAC3-[4-[2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-2-pyridinyl]propyl carbamate
SMILESCc1cccc(C=NNc2cc(CCCOC(N)=O)nc(N3CCOCC3)c2)c1
InChIInChI=1S/C21H27N5O3/c1-16-4-2-5-17(12-16)15-23-25-19-13-18(6-3-9-29-21(22)27)24-20(14-19)26-7-10-28-11-8-26/h2,4-5,12-15H,3,6-11H2,1H3,(H2,22,27)(H,24,25)
InChIKeyLQAKGFQNABODPK-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.70
Rot. Bonds8

About 3-[4-[2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-2-pyridinyl]propyl carbamate

3-[4-[2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-2-pyridinyl]propyl carbamate (PubChem CID 150980685) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-[4-[2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-2-pyridinyl]propyl carbamate.

Molecular Properties

Compound Name3-[4-[2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-2-pyridinyl]propyl carbamate
PubChem CID150980685
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name3-[4-[2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-2-pyridinyl]propyl carbamate
SMILESCc1cccc(C=NNc2cc(CCCOC(N)=O)nc(N3CCOCC3)c2)c1
InChIInChI=1S/C21H27N5O3/c1-16-4-2-5-17(12-16)15-23-25-19-13-18(6-3-9-29-21(22)27)24-20(14-19)26-7-10-28-11-8-26/h2,4-5,12-15H,3,6-11H2,1H3,(H2,22,27)(H,24,25)
InChIKeyLQAKGFQNABODPK-UHFFFAOYSA-N
XLogP2.70
TPSA102.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl morpholine-4-carboxylate
CID 58613205
2-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-4-yl]oxyethyl morpholine-4-carboxylate
CID 11662808
2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]ethyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 11713445
2-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine
CID 11453023
N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 59673900
2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl morpholine-4-carboxylate
CID 11431329
4-[2-(3,4-dimethoxyphenyl)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyridin-2-amine;methanesulfonic acid
CID 16662174
N-[(E)-(3-methylphenyl)methylideneamino]-4-[[5-[(3-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]methyl]-6-morpholin-4-ylpyrimidin-2-amine
CID 11641829
1-[2-[[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]methoxy]ethyl]pyridin-2-one
CID 172939169
3-methyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]aniline
CID 11166016
[2-methyl-1-[4-[2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]propan-2-yl] N-[4-(trifluoromethyl)phenyl]carbamate
CID 66841104
[2-methyl-1-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]propan-2-yl] N-[4-(trifluoromethyl)phenyl]carbamate
CID 11685457

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-2-pyridinyl]propyl carbamate?
The IUPAC name of 3-[4-[2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-2-pyridinyl]propyl carbamate (CID 150980685) is 3-[4-[2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-2-pyridinyl]propyl carbamate.
What is the SMILES notation for 3-[4-[2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-2-pyridinyl]propyl carbamate?
The canonical SMILES for 3-[4-[2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-2-pyridinyl]propyl carbamate is Cc1cccc(C=NNc2cc(CCCOC(N)=O)nc(N3CCOCC3)c2)c1.
What is the InChIKey of 3-[4-[2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-2-pyridinyl]propyl carbamate?
The InChIKey is LQAKGFQNABODPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-16-4-2-5-17(12-16)15-23-25-19-13-18(6-3-9-29-21(22)27)24-20(14-19)26-7-10-28-11-8-26/h2,4-5,12-15H,3,6-11H2,1H3,(H2,22,27)(H,24,25).
What are the key properties of 3-[4-[2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-2-pyridinyl]propyl carbamate?
3-[4-[2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-2-pyridinyl]propyl carbamate has a molecular weight of 397.48 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-2-pyridinyl]propyl carbamate is sourced from PubChem (CID 150980685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).