N-[(5-nitro-2,4-dipropoxyphenyl)methylideneamino]pyridin-2-amine

C18H22N4O4 — CID 110842592

IUPACN-[(5-nitro-2,4-dipropoxyphenyl)methylideneamino]pyridin-2-amine
SMILESCCCOc1cc(OCCC)c([N+](=O)[O-])cc1C=NNc1ccccn1
InChIInChI=1S/C18H22N4O4/c1-3-9-25-16-12-17(26-10-4-2)15(22(23)24)11-14(16)13-20-21-18-7-5-6-8-19-18/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,19,21)
InChIKeyRHLFJRVLOHUKEI-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.01
Rot. Bonds10

About N-[(5-nitro-2,4-dipropoxyphenyl)methylideneamino]pyridin-2-amine

N-[(5-nitro-2,4-dipropoxyphenyl)methylideneamino]pyridin-2-amine (PubChem CID 110842592) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[(5-nitro-2,4-dipropoxyphenyl)methylideneamino]pyridin-2-amine.

Molecular Properties

Compound NameN-[(5-nitro-2,4-dipropoxyphenyl)methylideneamino]pyridin-2-amine
PubChem CID110842592
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC NameN-[(5-nitro-2,4-dipropoxyphenyl)methylideneamino]pyridin-2-amine
SMILESCCCOc1cc(OCCC)c([N+](=O)[O-])cc1C=NNc1ccccn1
InChIInChI=1S/C18H22N4O4/c1-3-9-25-16-12-17(26-10-4-2)15(22(23)24)11-14(16)13-20-21-18-7-5-6-8-19-18/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,19,21)
InChIKeyRHLFJRVLOHUKEI-UHFFFAOYSA-N
XLogP4.01
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(4-hexoxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridin-2-amine
CID 110505616
N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]pyridin-2-amine
CID 84932002
N-[(4-bromo-3-nitrophenyl)methylideneamino]pyridin-2-amine
CID 84888865
2,4-dinitro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 135458967
N-[(Z)-(3-nitro-4-propoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 110514878
N-[(2-butoxyphenyl)methylideneamino]-5-nitropyridin-2-amine
CID 3637125
3-chloro-N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]-4-methylaniline
CID 110506565
(NZ)-N-[(2,4-diethoxy-5-nitrophenyl)methylidene]benzenesulfonamide
CID 110518805
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridin-2-amine
CID 5339902
N-[(E)-(2,4-diethoxy-5-nitrophenyl)methylideneamino]pentanamide
CID 110506922
2-[(2Z)-2-[(2,4-diethoxy-5-nitrophenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136787683
3-chloro-4-methyl-N-[(E)-(3-nitro-4-propoxyphenyl)methylideneamino]aniline
CID 110506546

Frequently Asked Questions

What is the IUPAC name of N-[(5-nitro-2,4-dipropoxyphenyl)methylideneamino]pyridin-2-amine?
The IUPAC name of N-[(5-nitro-2,4-dipropoxyphenyl)methylideneamino]pyridin-2-amine (CID 110842592) is N-[(5-nitro-2,4-dipropoxyphenyl)methylideneamino]pyridin-2-amine.
What is the SMILES notation for N-[(5-nitro-2,4-dipropoxyphenyl)methylideneamino]pyridin-2-amine?
The canonical SMILES for N-[(5-nitro-2,4-dipropoxyphenyl)methylideneamino]pyridin-2-amine is CCCOc1cc(OCCC)c([N+](=O)[O-])cc1C=NNc1ccccn1.
What is the InChIKey of N-[(5-nitro-2,4-dipropoxyphenyl)methylideneamino]pyridin-2-amine?
The InChIKey is RHLFJRVLOHUKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-3-9-25-16-12-17(26-10-4-2)15(22(23)24)11-14(16)13-20-21-18-7-5-6-8-19-18/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,19,21).
What are the key properties of N-[(5-nitro-2,4-dipropoxyphenyl)methylideneamino]pyridin-2-amine?
N-[(5-nitro-2,4-dipropoxyphenyl)methylideneamino]pyridin-2-amine has a molecular weight of 358.40 g/mol, XLogP of 4.01, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-nitro-2,4-dipropoxyphenyl)methylideneamino]pyridin-2-amine is sourced from PubChem (CID 110842592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).