3-chloro-N-[1-(3-methoxyphenyl)piperidin-3-yl]-5-nitropyridin-2-amine

C17H19ClN4O3 — CID 133304684

IUPAC3-chloro-N-[1-(3-methoxyphenyl)piperidin-3-yl]-5-nitropyridin-2-amine
SMILESCOc1cccc(N2CCCC(Nc3ncc([N+](=O)[O-])cc3Cl)C2)c1
InChIInChI=1S/C17H19ClN4O3/c1-25-15-6-2-5-13(8-15)21-7-3-4-12(11-21)20-17-16(18)9-14(10-19-17)22(23)24/h2,5-6,8-10,12H,3-4,7,11H2,1H3,(H,19,20)
InChIKeyPNUCMVRXQIVJJF-UHFFFAOYSA-N
MW362.82 g/mol
LogP3.73
Rot. Bonds5

About 3-chloro-N-[1-(3-methoxyphenyl)piperidin-3-yl]-5-nitropyridin-2-amine

3-chloro-N-[1-(3-methoxyphenyl)piperidin-3-yl]-5-nitropyridin-2-amine (PubChem CID 133304684) has the molecular formula C17H19ClN4O3 and a molecular weight of 362.82 g/mol. Its IUPAC name is 3-chloro-N-[1-(3-methoxyphenyl)piperidin-3-yl]-5-nitropyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[1-(3-methoxyphenyl)piperidin-3-yl]-5-nitropyridin-2-amine
PubChem CID133304684
Molecular FormulaC17H19ClN4O3
Molecular Weight362.82 g/mol
Exact Mass362.11
IUPAC Name3-chloro-N-[1-(3-methoxyphenyl)piperidin-3-yl]-5-nitropyridin-2-amine
SMILESCOc1cccc(N2CCCC(Nc3ncc([N+](=O)[O-])cc3Cl)C2)c1
InChIInChI=1S/C17H19ClN4O3/c1-25-15-6-2-5-13(8-15)21-7-3-4-12(11-21)20-17-16(18)9-14(10-19-17)22(23)24/h2,5-6,8-10,12H,3-4,7,11H2,1H3,(H,19,20)
InChIKeyPNUCMVRXQIVJJF-UHFFFAOYSA-N
XLogP3.73
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 53.73
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

methyl 3-[(3-chloro-5-nitro-2-pyridinyl)amino]azetidine-1-carboxylate
CID 133385700
N-[1-(3-methoxyphenyl)piperidin-3-yl]methanesulfonamide
CID 56791986
6-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122053861
3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-nitropyridin-2-amine
CID 133336336
4-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]quinazoline-8-carboxamide
CID 142798674
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
CID 53318242
N-[1-(3-methoxyphenyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 136569003
3-chloro-N-(1,1-dioxothian-3-yl)-5-nitropyridin-2-amine
CID 75374172
2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 119884236
1-(3-methoxyphenyl)piperidin-3-amine;dihydrochloride
CID 168974066
2-cyclopropyl-2-methoxy-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 136538572
2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-5-nitropyridine-3-carboxamide
CID 133411822

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(3-methoxyphenyl)piperidin-3-yl]-5-nitropyridin-2-amine?
The IUPAC name of 3-chloro-N-[1-(3-methoxyphenyl)piperidin-3-yl]-5-nitropyridin-2-amine (CID 133304684) is 3-chloro-N-[1-(3-methoxyphenyl)piperidin-3-yl]-5-nitropyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[1-(3-methoxyphenyl)piperidin-3-yl]-5-nitropyridin-2-amine?
The canonical SMILES for 3-chloro-N-[1-(3-methoxyphenyl)piperidin-3-yl]-5-nitropyridin-2-amine is COc1cccc(N2CCCC(Nc3ncc([N+](=O)[O-])cc3Cl)C2)c1.
What is the InChIKey of 3-chloro-N-[1-(3-methoxyphenyl)piperidin-3-yl]-5-nitropyridin-2-amine?
The InChIKey is PNUCMVRXQIVJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O3/c1-25-15-6-2-5-13(8-15)21-7-3-4-12(11-21)20-17-16(18)9-14(10-19-17)22(23)24/h2,5-6,8-10,12H,3-4,7,11H2,1H3,(H,19,20).
What are the key properties of 3-chloro-N-[1-(3-methoxyphenyl)piperidin-3-yl]-5-nitropyridin-2-amine?
3-chloro-N-[1-(3-methoxyphenyl)piperidin-3-yl]-5-nitropyridin-2-amine has a molecular weight of 362.82 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(3-methoxyphenyl)piperidin-3-yl]-5-nitropyridin-2-amine is sourced from PubChem (CID 133304684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).