1-(6-amino-5-nitro-2-pyridinyl)-N-methylpiperidine-3-carboxamide

C12H17N5O3 — CID 103198490

IUPAC1-(6-amino-5-nitro-2-pyridinyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2ccc([N+](=O)[O-])c(N)n2)C1
InChIInChI=1S/C12H17N5O3/c1-14-12(18)8-3-2-6-16(7-8)10-5-4-9(17(19)20)11(13)15-10/h4-5,8H,2-3,6-7H2,1H3,(H2,13,15)(H,14,18)
InChIKeyDNIMLIAKVCJWKZ-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.53
Rot. Bonds3

About 1-(6-amino-5-nitro-2-pyridinyl)-N-methylpiperidine-3-carboxamide

1-(6-amino-5-nitro-2-pyridinyl)-N-methylpiperidine-3-carboxamide (PubChem CID 103198490) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-(6-amino-5-nitro-2-pyridinyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-amino-5-nitro-2-pyridinyl)-N-methylpiperidine-3-carboxamide
PubChem CID103198490
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name1-(6-amino-5-nitro-2-pyridinyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2ccc([N+](=O)[O-])c(N)n2)C1
InChIInChI=1S/C12H17N5O3/c1-14-12(18)8-3-2-6-16(7-8)10-5-4-9(17(19)20)11(13)15-10/h4-5,8H,2-3,6-7H2,1H3,(H2,13,15)(H,14,18)
InChIKeyDNIMLIAKVCJWKZ-UHFFFAOYSA-N
XLogP0.53
TPSA114.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.53
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

1-(6-amino-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 79825655
1-(6-hydrazinyl-3-nitro-2-pyridinyl)-N-methylpiperidine-3-carboxamide
CID 103198724
3-nitro-6-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridin-2-amine
CID 79827982
1-[1-(6-amino-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanol
CID 112627940
methyl 1-(6-methyl-5-nitro-2-pyridinyl)piperidine-3-carboxylate
CID 80711750
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-nitropyridin-2-amine
CID 113336387
1-(6-amino-5-nitro-2-pyridinyl)azepane-2-carboxylic acid
CID 79828132
methyl 1-(6-amino-5-nitro-2-pyridinyl)piperidine-2-carboxylate
CID 115538245
4-(6-amino-5-nitro-2-pyridinyl)-N-methylmorpholine-3-carboxamide
CID 83105439
1-[5-(1-hydroxyethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 103196725
6-(3-amino-4-methylpyrrolidin-1-yl)-3-nitropyridin-2-amine
CID 103577786
(3R)-1-(6-bromoquinolin-2-yl)-N-methylpiperidine-3-carboxamide
CID 95775268

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-nitro-2-pyridinyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(6-amino-5-nitro-2-pyridinyl)-N-methylpiperidine-3-carboxamide (CID 103198490) is 1-(6-amino-5-nitro-2-pyridinyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(6-amino-5-nitro-2-pyridinyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(6-amino-5-nitro-2-pyridinyl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2ccc([N+](=O)[O-])c(N)n2)C1.
What is the InChIKey of 1-(6-amino-5-nitro-2-pyridinyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is DNIMLIAKVCJWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c1-14-12(18)8-3-2-6-16(7-8)10-5-4-9(17(19)20)11(13)15-10/h4-5,8H,2-3,6-7H2,1H3,(H2,13,15)(H,14,18).
What are the key properties of 1-(6-amino-5-nitro-2-pyridinyl)-N-methylpiperidine-3-carboxamide?
1-(6-amino-5-nitro-2-pyridinyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5-nitro-2-pyridinyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103198490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).