2-[(5-chloro-3-nitro-2-pyridinyl)amino]-3-hydroxy-N-methylpropanamide

C9H11ClN4O4 — CID 133497231

IUPAC2-[(5-chloro-3-nitro-2-pyridinyl)amino]-3-hydroxy-N-methylpropanamide
SMILESCNC(=O)C(CO)Nc1ncc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C9H11ClN4O4/c1-11-9(16)6(4-15)13-8-7(14(17)18)2-5(10)3-12-8/h2-3,6,15H,4H2,1H3,(H,11,16)(H,12,13)
InChIKeyDSTRBUKFJQOJQU-UHFFFAOYSA-N
MW274.66 g/mol
LogP0.16
Rot. Bonds5

About 2-[(5-chloro-3-nitro-2-pyridinyl)amino]-3-hydroxy-N-methylpropanamide

2-[(5-chloro-3-nitro-2-pyridinyl)amino]-3-hydroxy-N-methylpropanamide (PubChem CID 133497231) has the molecular formula C9H11ClN4O4 and a molecular weight of 274.66 g/mol. Its IUPAC name is 2-[(5-chloro-3-nitro-2-pyridinyl)amino]-3-hydroxy-N-methylpropanamide.

Molecular Properties

Compound Name2-[(5-chloro-3-nitro-2-pyridinyl)amino]-3-hydroxy-N-methylpropanamide
PubChem CID133497231
Molecular FormulaC9H11ClN4O4
Molecular Weight274.66 g/mol
Exact Mass274.05
IUPAC Name2-[(5-chloro-3-nitro-2-pyridinyl)amino]-3-hydroxy-N-methylpropanamide
SMILESCNC(=O)C(CO)Nc1ncc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C9H11ClN4O4/c1-11-9(16)6(4-15)13-8-7(14(17)18)2-5(10)3-12-8/h2-3,6,15H,4H2,1H3,(H,11,16)(H,12,13)
InChIKeyDSTRBUKFJQOJQU-UHFFFAOYSA-N
XLogP0.16
TPSA117.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.66
LogP ≤ 50.16
H-Bond Donors ≤ 53
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

3-[(5-chloro-3-nitro-2-pyridinyl)amino]pentan-1-ol
CID 115747035
5-chloro-N-(3,3-dimethylbutan-2-yl)-3-nitropyridin-2-amine
CID 113269101
N-(5-chloro-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 115303224
4-[(5-chloro-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 106842697
N-[1-(4-aminophenyl)ethyl]-5-chloro-3-nitropyridin-2-amine
CID 116650583
4-[(5-chloro-3-nitro-2-pyridinyl)amino]phenol
CID 70584439
5-chloro-N-(2-methylbutan-2-yl)-3-nitropyridin-2-amine
CID 115746996
5-chloro-3-nitro-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 104576952
2-[[(5-chloro-3-nitro-2-pyridinyl)amino]methyl]phenol
CID 115747014
5-chloro-N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-3-nitropyridin-2-amine
CID 133480750
5-[(5-chloro-3-nitro-2-pyridinyl)amino]pentanamide
CID 106238716
2-[(5-methyl-3-nitro-2-pyridinyl)amino]pentanoic acid
CID 66278043

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-nitro-2-pyridinyl)amino]-3-hydroxy-N-methylpropanamide?
The IUPAC name of 2-[(5-chloro-3-nitro-2-pyridinyl)amino]-3-hydroxy-N-methylpropanamide (CID 133497231) is 2-[(5-chloro-3-nitro-2-pyridinyl)amino]-3-hydroxy-N-methylpropanamide.
What is the SMILES notation for 2-[(5-chloro-3-nitro-2-pyridinyl)amino]-3-hydroxy-N-methylpropanamide?
The canonical SMILES for 2-[(5-chloro-3-nitro-2-pyridinyl)amino]-3-hydroxy-N-methylpropanamide is CNC(=O)C(CO)Nc1ncc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 2-[(5-chloro-3-nitro-2-pyridinyl)amino]-3-hydroxy-N-methylpropanamide?
The InChIKey is DSTRBUKFJQOJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O4/c1-11-9(16)6(4-15)13-8-7(14(17)18)2-5(10)3-12-8/h2-3,6,15H,4H2,1H3,(H,11,16)(H,12,13).
What are the key properties of 2-[(5-chloro-3-nitro-2-pyridinyl)amino]-3-hydroxy-N-methylpropanamide?
2-[(5-chloro-3-nitro-2-pyridinyl)amino]-3-hydroxy-N-methylpropanamide has a molecular weight of 274.66 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-nitro-2-pyridinyl)amino]-3-hydroxy-N-methylpropanamide is sourced from PubChem (CID 133497231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).