2-[[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]amino]-5-nitrobenzamide

C16H17N5O4 — CID 133301141

IUPAC2-[[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]amino]-5-nitrobenzamide
SMILESCc1ccc(NC(=O)CCNc2ccc([N+](=O)[O-])cc2C(N)=O)nc1
InChIInChI=1S/C16H17N5O4/c1-10-2-5-14(19-9-10)20-15(22)6-7-18-13-4-3-11(21(24)25)8-12(13)16(17)23/h2-5,8-9,18H,6-7H2,1H3,(H2,17,23)(H,19,20,22)
InChIKeyOOPZYQBJNSACEG-UHFFFAOYSA-N
MW343.34 g/mol
LogP1.84
Rot. Bonds7

About 2-[[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]amino]-5-nitrobenzamide

2-[[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]amino]-5-nitrobenzamide (PubChem CID 133301141) has the molecular formula C16H17N5O4 and a molecular weight of 343.34 g/mol. Its IUPAC name is 2-[[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]amino]-5-nitrobenzamide.

Molecular Properties

Compound Name2-[[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]amino]-5-nitrobenzamide
PubChem CID133301141
Molecular FormulaC16H17N5O4
Molecular Weight343.34 g/mol
Exact Mass343.13
IUPAC Name2-[[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]amino]-5-nitrobenzamide
SMILESCc1ccc(NC(=O)CCNc2ccc([N+](=O)[O-])cc2C(N)=O)nc1
InChIInChI=1S/C16H17N5O4/c1-10-2-5-14(19-9-10)20-15(22)6-7-18-13-4-3-11(21(24)25)8-12(13)16(17)23/h2-5,8-9,18H,6-7H2,1H3,(H2,17,23)(H,19,20,22)
InChIKeyOOPZYQBJNSACEG-UHFFFAOYSA-N
XLogP1.84
TPSA140.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.84
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

N-(5-methyl-2-pyridinyl)-3-[4-nitro-2-(trifluoromethyl)anilino]propanamide
CID 133301188
N-(5-methyl-2-pyridinyl)-3-[(5-nitroquinolin-8-yl)amino]propanamide
CID 133301195
2-(2-methoxyethylamino)-5-nitrobenzamide
CID 2960673
5-nitro-2-[2-(quinolin-2-ylamino)ethylamino]benzamide
CID 133309757
3-(2-acetyl-4-nitroanilino)-N-propan-2-ylpropanamide
CID 119052262
N-(5-methyl-2-pyridinyl)-2-nitroacetamide
CID 12520553
methyl 2-[[3-(4-bromoanilino)-3-oxopropyl]amino]-5-nitrobenzoate
CID 52687742
(2-carbamoyl-4-nitroanilino) 2-oxobutanoate
CID 91448131
2-[(2-methyl-2-methylsulfanylpropyl)amino]-5-nitrobenzamide
CID 133327327
N-(5-methyl-2-pyridinyl)-4-nitro-2-(2H-tetrazol-5-yl)benzamide
CID 170434577
1-(5-methyl-2-pyridinyl)-3-(3-nitrophenyl)urea
CID 971660
1-(5-methyl-2-pyridinyl)-3-(3-nitrophenyl)thiourea
CID 19686076

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]amino]-5-nitrobenzamide?
The IUPAC name of 2-[[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]amino]-5-nitrobenzamide (CID 133301141) is 2-[[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]amino]-5-nitrobenzamide.
What is the SMILES notation for 2-[[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]amino]-5-nitrobenzamide?
The canonical SMILES for 2-[[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]amino]-5-nitrobenzamide is Cc1ccc(NC(=O)CCNc2ccc([N+](=O)[O-])cc2C(N)=O)nc1.
What is the InChIKey of 2-[[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]amino]-5-nitrobenzamide?
The InChIKey is OOPZYQBJNSACEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4/c1-10-2-5-14(19-9-10)20-15(22)6-7-18-13-4-3-11(21(24)25)8-12(13)16(17)23/h2-5,8-9,18H,6-7H2,1H3,(H2,17,23)(H,19,20,22).
What are the key properties of 2-[[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]amino]-5-nitrobenzamide?
2-[[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]amino]-5-nitrobenzamide has a molecular weight of 343.34 g/mol, XLogP of 1.84, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]amino]-5-nitrobenzamide is sourced from PubChem (CID 133301141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).