N-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide

C12H16N4O3 — CID 115696993

IUPACN-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
SMILESCc1nc(NCCNC(=O)C2CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H16N4O3/c1-8-10(16(18)19)4-5-11(15-8)13-6-7-14-12(17)9-2-3-9/h4-5,9H,2-3,6-7H2,1H3,(H,13,15)(H,14,17)
InChIKeyCAZJBKXBSCJTMU-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.24
Rot. Bonds6

About N-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide

N-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 115696993) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
PubChem CID115696993
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC NameN-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
SMILESCc1nc(NCCNC(=O)C2CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H16N4O3/c1-8-10(16(18)19)4-5-11(15-8)13-6-7-14-12(17)9-2-3-9/h4-5,9H,2-3,6-7H2,1H3,(H,13,15)(H,14,17)
InChIKeyCAZJBKXBSCJTMU-UHFFFAOYSA-N
XLogP1.24
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

1,1-dimethyl-3-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]urea
CID 83113239
N-cycloheptyl-N'-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306791
N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-5-nitropyridin-2-amine
CID 103764632
N-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80712219
6-methyl-5-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 80718009
N-(3-ethoxypropyl)-6-methyl-5-nitropyridin-2-amine
CID 80719198
6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine
CID 103764691
6-methyl-5-nitro-N-(3-propoxypropyl)pyridin-2-amine
CID 82944671
6-methyl-N-(3-methylsulfinylpropyl)-5-nitropyridin-2-amine
CID 75426721
N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 75424390
N-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]acetamide
CID 133407553
N-cyclopentyl-6-methyl-5-nitropyridin-2-amine
CID 80718825

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide (CID 115696993) is N-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide is Cc1nc(NCCNC(=O)C2CC2)ccc1[N+](=O)[O-].
What is the InChIKey of N-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is CAZJBKXBSCJTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-8-10(16(18)19)4-5-11(15-8)13-6-7-14-12(17)9-2-3-9/h4-5,9H,2-3,6-7H2,1H3,(H,13,15)(H,14,17).
What are the key properties of N-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 264.28 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115696993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).