N-methyl-2-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide

C13H19N5O3 — CID 32884003

IUPACN-methyl-2-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C13H19N5O3/c1-14-13(19)9-17-6-4-10(5-7-17)16-12-3-2-11(8-15-12)18(20)21/h2-3,8,10H,4-7,9H2,1H3,(H,14,19)(H,15,16)
InChIKeyYXXPQPHWMLYFJQ-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.61
Rot. Bonds5

About N-methyl-2-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide

N-methyl-2-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide (PubChem CID 32884003) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-methyl-2-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide
PubChem CID32884003
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC NameN-methyl-2-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C13H19N5O3/c1-14-13(19)9-17-6-4-10(5-7-17)16-12-3-2-11(8-15-12)18(20)21/h2-3,8,10H,4-7,9H2,1H3,(H,14,19)(H,15,16)
InChIKeyYXXPQPHWMLYFJQ-UHFFFAOYSA-N
XLogP0.61
TPSA100.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.61
H-Bond Donors ≤ 52
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

5-nitro-N-(1-propylpiperidin-4-yl)pyridin-2-amine
CID 60667091
N-methyl-4-[(5-nitro-2-pyridinyl)amino]cyclohexane-1-carboxamide
CID 47470181
(1S)-1-(4-methylphenyl)-2-[(3S)-3-[(5-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]ethanol
CID 95901077
5-nitro-N-[1-[(4-nitrophenyl)methyl]pyrrolidin-3-yl]pyridin-2-amine
CID 56806094
5-nitro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyridin-2-amine
CID 133305273
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-nitropyridin-2-amine
CID 47054301
5-nitro-N-(1-propylsulfonylpiperidin-4-yl)pyridin-2-amine
CID 47053949
2-(methylamino)-1-[3-[(5-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]ethanone;hydrochloride
CID 120704609
2-[4-[(6-chloro-1,8-naphthyridin-2-yl)amino]piperidin-1-yl]-N-methylacetamide
CID 167879235
N-methyl-2-[(5-nitro-2-pyridinyl)amino]acetamide
CID 16960192
4-N-(5-nitro-2-pyridinyl)cyclohexane-1,4-diamine
CID 22591359
2-methyl-3-(methylamino)-1-[3-[(5-nitro-2-pyridinyl)amino]pyrrolidin-1-yl]propan-1-one;dihydrochloride
CID 119890640

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide (CID 32884003) is N-methyl-2-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide is CNC(=O)CN1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1.
What is the InChIKey of N-methyl-2-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide?
The InChIKey is YXXPQPHWMLYFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-14-13(19)9-17-6-4-10(5-7-17)16-12-3-2-11(8-15-12)18(20)21/h2-3,8,10H,4-7,9H2,1H3,(H,14,19)(H,15,16).
What are the key properties of N-methyl-2-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide?
N-methyl-2-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide has a molecular weight of 293.33 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 32884003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).