5-chloro-4-N-[(3R)-1-methylpiperidin-3-yl]-3-nitropyridine-2,4-diamine

C11H16ClN5O2 — CID 156697251

IUPAC5-chloro-4-N-[(3R)-1-methylpiperidin-3-yl]-3-nitropyridine-2,4-diamine
SMILESCN1CCC[C@@H](Nc2c(Cl)cnc(N)c2[N+](=O)[O-])C1
InChIInChI=1S/C11H16ClN5O2/c1-16-4-2-3-7(6-16)15-9-8(12)5-14-11(13)10(9)17(18)19/h5,7H,2-4,6H2,1H3,(H3,13,14,15)/t7-/m1/s1
InChIKeyBERSWHHHCXPCHM-SSDOTTSWSA-N
MW285.74 g/mol
LogP1.73
Rot. Bonds3

About 5-chloro-4-N-[(3R)-1-methylpiperidin-3-yl]-3-nitropyridine-2,4-diamine

5-chloro-4-N-[(3R)-1-methylpiperidin-3-yl]-3-nitropyridine-2,4-diamine (PubChem CID 156697251) has the molecular formula C11H16ClN5O2 and a molecular weight of 285.74 g/mol. Its IUPAC name is 5-chloro-4-N-[(3R)-1-methylpiperidin-3-yl]-3-nitropyridine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[(3R)-1-methylpiperidin-3-yl]-3-nitropyridine-2,4-diamine
PubChem CID156697251
Molecular FormulaC11H16ClN5O2
Molecular Weight285.74 g/mol
Exact Mass285.10
IUPAC Name5-chloro-4-N-[(3R)-1-methylpiperidin-3-yl]-3-nitropyridine-2,4-diamine
SMILESCN1CCC[C@@H](Nc2c(Cl)cnc(N)c2[N+](=O)[O-])C1
InChIInChI=1S/C11H16ClN5O2/c1-16-4-2-3-7(6-16)15-9-8(12)5-14-11(13)10(9)17(18)19/h5,7H,2-4,6H2,1H3,(H3,13,14,15)/t7-/m1/s1
InChIKeyBERSWHHHCXPCHM-SSDOTTSWSA-N
XLogP1.73
TPSA97.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 51.73
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-methyl-N-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)piperidin-3-amine
CID 66019157
N-(3,5-difluoro-2-nitrophenyl)-1-methylpiperidin-3-amine
CID 115507795
N-(3-chloro-2-nitrophenyl)-1-methylpyrrolidin-3-amine
CID 113458877
4-chloro-2-methyl-5-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-one
CID 158190785
6-N-methyl-4-N-(1-methylpyrrolidin-3-yl)-5-nitropyrimidine-4,6-diamine
CID 80803697
1-methyl-N-(3-methyl-4-nitrophenyl)piperidin-3-amine
CID 61211811
1-methyl-N-(2-methyl-5-nitrophenyl)piperidin-3-amine
CID 62590133
1-methyl-N-(4-methyl-3-nitrophenyl)piperidin-3-amine
CID 62912816
4-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyrimidine-4,6-diamine
CID 106029026
5-chloro-4-fluoro-3-nitropyridin-2-amine
CID 135394983
5-methyl-2-N-(1-methylpiperidin-3-yl)pyridine-2,3-diamine
CID 66279959
5-[(3,5-dichloro-4-pyridinyl)sulfanyl]-N-(1-methylpiperidin-3-yl)-4-nitrothiophene-2-carboxamide
CID 67495161

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[(3R)-1-methylpiperidin-3-yl]-3-nitropyridine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-[(3R)-1-methylpiperidin-3-yl]-3-nitropyridine-2,4-diamine (CID 156697251) is 5-chloro-4-N-[(3R)-1-methylpiperidin-3-yl]-3-nitropyridine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-[(3R)-1-methylpiperidin-3-yl]-3-nitropyridine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-[(3R)-1-methylpiperidin-3-yl]-3-nitropyridine-2,4-diamine is CN1CCC[C@@H](Nc2c(Cl)cnc(N)c2[N+](=O)[O-])C1.
What is the InChIKey of 5-chloro-4-N-[(3R)-1-methylpiperidin-3-yl]-3-nitropyridine-2,4-diamine?
The InChIKey is BERSWHHHCXPCHM-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H16ClN5O2/c1-16-4-2-3-7(6-16)15-9-8(12)5-14-11(13)10(9)17(18)19/h5,7H,2-4,6H2,1H3,(H3,13,14,15)/t7-/m1/s1.
What are the key properties of 5-chloro-4-N-[(3R)-1-methylpiperidin-3-yl]-3-nitropyridine-2,4-diamine?
5-chloro-4-N-[(3R)-1-methylpiperidin-3-yl]-3-nitropyridine-2,4-diamine has a molecular weight of 285.74 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[(3R)-1-methylpiperidin-3-yl]-3-nitropyridine-2,4-diamine is sourced from PubChem (CID 156697251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).