(3R)-3-(3-chlorophenyl)-3-[(5-methyl-3-nitro-2-pyridinyl)amino]propanamide

C15H15ClN4O3 — CID 122148510

IUPAC(3R)-3-(3-chlorophenyl)-3-[(5-methyl-3-nitro-2-pyridinyl)amino]propanamide
SMILESCc1cnc(N[C@H](CC(N)=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15ClN4O3/c1-9-5-13(20(22)23)15(18-8-9)19-12(7-14(17)21)10-3-2-4-11(16)6-10/h2-6,8,12H,7H2,1H3,(H2,17,21)(H,18,19)/t12-/m1/s1
InChIKeyLBBNPSRLSYBHAQ-GFCCVEGCSA-N
MW334.76 g/mol
LogP2.98
Rot. Bonds6

About (3R)-3-(3-chlorophenyl)-3-[(5-methyl-3-nitro-2-pyridinyl)amino]propanamide

(3R)-3-(3-chlorophenyl)-3-[(5-methyl-3-nitro-2-pyridinyl)amino]propanamide (PubChem CID 122148510) has the molecular formula C15H15ClN4O3 and a molecular weight of 334.76 g/mol. Its IUPAC name is (3R)-3-(3-chlorophenyl)-3-[(5-methyl-3-nitro-2-pyridinyl)amino]propanamide.

Molecular Properties

Compound Name(3R)-3-(3-chlorophenyl)-3-[(5-methyl-3-nitro-2-pyridinyl)amino]propanamide
PubChem CID122148510
Molecular FormulaC15H15ClN4O3
Molecular Weight334.76 g/mol
Exact Mass334.08
IUPAC Name(3R)-3-(3-chlorophenyl)-3-[(5-methyl-3-nitro-2-pyridinyl)amino]propanamide
SMILESCc1cnc(N[C@H](CC(N)=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15ClN4O3/c1-9-5-13(20(22)23)15(18-8-9)19-12(7-14(17)21)10-3-2-4-11(16)6-10/h2-6,8,12H,7H2,1H3,(H2,17,21)(H,18,19)/t12-/m1/s1
InChIKeyLBBNPSRLSYBHAQ-GFCCVEGCSA-N
XLogP2.98
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[1-(3-bromophenyl)ethyl]-5-methyl-3-nitropyridin-2-amine
CID 66280699
N-[1-(2-chlorophenyl)ethyl]-5-methyl-3-nitropyridin-2-amine
CID 66279384
(2S)-3-methyl-2-[(5-methyl-3-nitro-2-pyridinyl)amino]butanoic acid
CID 120964347
5-methyl-3-nitro-N-(1-phenylpropan-2-yl)pyridin-2-amine
CID 66279610
2-[(5-methyl-3-nitro-2-pyridinyl)amino]pentanoic acid
CID 66278043
methyl 2-(3-chlorophenyl)-2-(2-nitrophenyl)acetate
CID 23397302
N-[1-(furan-2-yl)-2-methoxyethyl]-5-methyl-3-nitropyridin-2-amine
CID 133336629
2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethylurea
CID 79035548
2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 65439508
5-methyl-N-(5-methylhexan-2-yl)-3-nitropyridin-2-amine
CID 66278295
4-[(5-methyl-3-nitro-2-pyridinyl)amino]butan-2-ol
CID 66281150
tert-butyl (2S)-3-methyl-2-[(5-methyl-3-nitro-2-pyridinyl)amino]butanoate
CID 133452177

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-chlorophenyl)-3-[(5-methyl-3-nitro-2-pyridinyl)amino]propanamide?
The IUPAC name of (3R)-3-(3-chlorophenyl)-3-[(5-methyl-3-nitro-2-pyridinyl)amino]propanamide (CID 122148510) is (3R)-3-(3-chlorophenyl)-3-[(5-methyl-3-nitro-2-pyridinyl)amino]propanamide.
What is the SMILES notation for (3R)-3-(3-chlorophenyl)-3-[(5-methyl-3-nitro-2-pyridinyl)amino]propanamide?
The canonical SMILES for (3R)-3-(3-chlorophenyl)-3-[(5-methyl-3-nitro-2-pyridinyl)amino]propanamide is Cc1cnc(N[C@H](CC(N)=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1.
What is the InChIKey of (3R)-3-(3-chlorophenyl)-3-[(5-methyl-3-nitro-2-pyridinyl)amino]propanamide?
The InChIKey is LBBNPSRLSYBHAQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H15ClN4O3/c1-9-5-13(20(22)23)15(18-8-9)19-12(7-14(17)21)10-3-2-4-11(16)6-10/h2-6,8,12H,7H2,1H3,(H2,17,21)(H,18,19)/t12-/m1/s1.
What are the key properties of (3R)-3-(3-chlorophenyl)-3-[(5-methyl-3-nitro-2-pyridinyl)amino]propanamide?
(3R)-3-(3-chlorophenyl)-3-[(5-methyl-3-nitro-2-pyridinyl)amino]propanamide has a molecular weight of 334.76 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-chlorophenyl)-3-[(5-methyl-3-nitro-2-pyridinyl)amino]propanamide is sourced from PubChem (CID 122148510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).