2-[[[6-[(4-aminocyclohexyl)methylamino]-5-nitro-2-pyridinyl]amino]methyl]phenol

C19H25N5O3 — CID 70833834

IUPAC2-[[[6-[(4-aminocyclohexyl)methylamino]-5-nitro-2-pyridinyl]amino]methyl]phenol
SMILESNC1CCC(CNc2nc(NCc3ccccc3O)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C19H25N5O3/c20-15-7-5-13(6-8-15)11-22-19-16(24(26)27)9-10-18(23-19)21-12-14-3-1-2-4-17(14)25/h1-4,9-10,13,15,25H,5-8,11-12,20H2,(H2,21,22,23)
InChIKeyJYVVNDWIVLVSRG-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.24
Rot. Bonds7

About 2-[[[6-[(4-aminocyclohexyl)methylamino]-5-nitro-2-pyridinyl]amino]methyl]phenol

2-[[[6-[(4-aminocyclohexyl)methylamino]-5-nitro-2-pyridinyl]amino]methyl]phenol (PubChem CID 70833834) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[[[6-[(4-aminocyclohexyl)methylamino]-5-nitro-2-pyridinyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-[[[6-[(4-aminocyclohexyl)methylamino]-5-nitro-2-pyridinyl]amino]methyl]phenol
PubChem CID70833834
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name2-[[[6-[(4-aminocyclohexyl)methylamino]-5-nitro-2-pyridinyl]amino]methyl]phenol
SMILESNC1CCC(CNc2nc(NCc3ccccc3O)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C19H25N5O3/c20-15-7-5-13(6-8-15)11-22-19-16(24(26)27)9-10-18(23-19)21-12-14-3-1-2-4-17(14)25/h1-4,9-10,13,15,25H,5-8,11-12,20H2,(H2,21,22,23)
InChIKeyJYVVNDWIVLVSRG-UHFFFAOYSA-N
XLogP3.24
TPSA126.34 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[[6-[(4-aminocyclohexyl)methylamino]-5-nitro-2-pyridinyl]amino]methyl]phenol with MolForge

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Related Compounds

2-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]phenol
CID 10083938
2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80783377
3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 106138108
6-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-3-nitropyridine-2,6-diamine
CID 80790831
N-(cyclopropylmethyl)-6-methyl-3-nitropyridin-2-amine;formic acid
CID 175490829
2-[[[4-[(4-aminocyclohexyl)methylamino]-5-phenylpyrimidin-2-yl]amino]methyl]phenol
CID 71052353
N-[(1-ethylpiperidin-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine
CID 80901669
6-chloro-N-[(4-methylcyclohexyl)methyl]-3-nitropyridin-2-amine
CID 63549781
2-[[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 80915820
3-[[[6-(methylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 106138420
6-N-methyl-3-nitro-2-N-(thiolan-3-ylmethyl)pyridine-2,6-diamine
CID 107298880
6-chloro-3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 63705752

Frequently Asked Questions

What is the IUPAC name of 2-[[[6-[(4-aminocyclohexyl)methylamino]-5-nitro-2-pyridinyl]amino]methyl]phenol?
The IUPAC name of 2-[[[6-[(4-aminocyclohexyl)methylamino]-5-nitro-2-pyridinyl]amino]methyl]phenol (CID 70833834) is 2-[[[6-[(4-aminocyclohexyl)methylamino]-5-nitro-2-pyridinyl]amino]methyl]phenol.
What is the SMILES notation for 2-[[[6-[(4-aminocyclohexyl)methylamino]-5-nitro-2-pyridinyl]amino]methyl]phenol?
The canonical SMILES for 2-[[[6-[(4-aminocyclohexyl)methylamino]-5-nitro-2-pyridinyl]amino]methyl]phenol is NC1CCC(CNc2nc(NCc3ccccc3O)ccc2[N+](=O)[O-])CC1.
What is the InChIKey of 2-[[[6-[(4-aminocyclohexyl)methylamino]-5-nitro-2-pyridinyl]amino]methyl]phenol?
The InChIKey is JYVVNDWIVLVSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c20-15-7-5-13(6-8-15)11-22-19-16(24(26)27)9-10-18(23-19)21-12-14-3-1-2-4-17(14)25/h1-4,9-10,13,15,25H,5-8,11-12,20H2,(H2,21,22,23).
What are the key properties of 2-[[[6-[(4-aminocyclohexyl)methylamino]-5-nitro-2-pyridinyl]amino]methyl]phenol?
2-[[[6-[(4-aminocyclohexyl)methylamino]-5-nitro-2-pyridinyl]amino]methyl]phenol has a molecular weight of 371.44 g/mol, XLogP of 3.24, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[6-[(4-aminocyclohexyl)methylamino]-5-nitro-2-pyridinyl]amino]methyl]phenol is sourced from PubChem (CID 70833834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).