6-methyl-5-nitro-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyridin-2-amine

C16H24N4O3 — CID 84588427

IUPAC6-methyl-5-nitro-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyridin-2-amine
SMILESCc1nc(NCC2(N3CCCC3)CCOCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H24N4O3/c1-13-14(20(21)22)4-5-15(18-13)17-12-16(6-10-23-11-7-16)19-8-2-3-9-19/h4-5H,2-3,6-12H2,1H3,(H,17,18)
InChIKeyMQQIPUFNLFDJBX-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.36
Rot. Bonds5

About 6-methyl-5-nitro-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyridin-2-amine

6-methyl-5-nitro-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyridin-2-amine (PubChem CID 84588427) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 6-methyl-5-nitro-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-5-nitro-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyridin-2-amine
PubChem CID84588427
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name6-methyl-5-nitro-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyridin-2-amine
SMILESCc1nc(NCC2(N3CCCC3)CCOCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H24N4O3/c1-13-14(20(21)22)4-5-15(18-13)17-12-16(6-10-23-11-7-16)19-8-2-3-9-19/h4-5H,2-3,6-12H2,1H3,(H,17,18)
InChIKeyMQQIPUFNLFDJBX-UHFFFAOYSA-N
XLogP2.36
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[[(6-methyl-5-nitro-2-pyridinyl)amino]methyl]cycloheptan-1-ol
CID 80710451
[3-[[(6-methyl-5-nitro-2-pyridinyl)amino]methyl]oxetan-3-yl]methanol
CID 133399192
N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methyl-5-nitropyridin-2-amine
CID 133491630
3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 71860376
6-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5-nitropyridin-2-amine
CID 80712207
6-methyl-N-(1-methylcyclopentyl)-5-nitropyridin-2-amine
CID 80711618
methyl 3-[6-[(4-pyrrolidin-1-yloxan-4-yl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanoate
CID 166271005
N-cycloheptyl-N'-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306791
6-methyl-5-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 80718009
6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine
CID 103764691
4-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]oxan-4-ol
CID 81134514
N-but-2-ynyl-6-methyl-5-nitropyridin-2-amine
CID 115903970

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-nitro-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 6-methyl-5-nitro-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyridin-2-amine (CID 84588427) is 6-methyl-5-nitro-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-methyl-5-nitro-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 6-methyl-5-nitro-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyridin-2-amine is Cc1nc(NCC2(N3CCCC3)CCOCC2)ccc1[N+](=O)[O-].
What is the InChIKey of 6-methyl-5-nitro-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyridin-2-amine?
The InChIKey is MQQIPUFNLFDJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-13-14(20(21)22)4-5-15(18-13)17-12-16(6-10-23-11-7-16)19-8-2-3-9-19/h4-5H,2-3,6-12H2,1H3,(H,17,18).
What are the key properties of 6-methyl-5-nitro-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyridin-2-amine?
6-methyl-5-nitro-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyridin-2-amine has a molecular weight of 320.39 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-nitro-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 84588427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).