2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-5-nitropyridine-3-carboxamide

C19H17N5O3 — CID 133414724

IUPAC2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-5-nitropyridine-3-carboxamide
SMILESCc1cccc(C(Nc2ncc([N+](=O)[O-])cc2C(N)=O)c2ccccn2)c1
InChIInChI=1S/C19H17N5O3/c1-12-5-4-6-13(9-12)17(16-7-2-3-8-21-16)23-19-15(18(20)25)10-14(11-22-19)24(26)27/h2-11,17H,1H3,(H2,20,25)(H,22,23)
InChIKeyAYLIMMMXJRRZOU-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.99
Rot. Bonds6

About 2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-5-nitropyridine-3-carboxamide

2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-5-nitropyridine-3-carboxamide (PubChem CID 133414724) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-5-nitropyridine-3-carboxamide
PubChem CID133414724
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-5-nitropyridine-3-carboxamide
SMILESCc1cccc(C(Nc2ncc([N+](=O)[O-])cc2C(N)=O)c2ccccn2)c1
InChIInChI=1S/C19H17N5O3/c1-12-5-4-6-13(9-12)17(16-7-2-3-8-21-16)23-19-15(18(20)25)10-14(11-22-19)24(26)27/h2-11,17H,1H3,(H2,20,25)(H,22,23)
InChIKeyAYLIMMMXJRRZOU-UHFFFAOYSA-N
XLogP2.99
TPSA124.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.99
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

3-bromo-N-[(3-methylphenyl)-pyridin-2-ylmethyl]-5-nitropyridin-2-amine
CID 133414684
3-chloro-N-[(3-methylphenyl)-pyridin-2-ylmethyl]-5-nitropyridin-2-amine
CID 133414774
2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-5-nitrobenzenesulfonamide
CID 133414638
[2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133414635
5-nitro-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]pyridine-3-carboxamide
CID 94178450
2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]-5-nitropyridine-3-carboxamide
CID 94178776
5-amino-2-(1-pyridin-2-ylethylamino)pyridine-3-carboxamide
CID 61360352
N-ethyl-6-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxamide
CID 133414835
2-[[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]amino]-5-nitropyridine-3-carboxamide
CID 95974455
2-[[2-methyl-3-(methylamino)propyl]amino]-5-nitropyridine-3-carboxamide
CID 115303189
2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitropyridine-3-carboxamide
CID 115310264
2-(1-aminohexan-2-ylamino)-5-nitropyridine-3-carboxamide
CID 80700351

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-5-nitropyridine-3-carboxamide (CID 133414724) is 2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-5-nitropyridine-3-carboxamide is Cc1cccc(C(Nc2ncc([N+](=O)[O-])cc2C(N)=O)c2ccccn2)c1.
What is the InChIKey of 2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-5-nitropyridine-3-carboxamide?
The InChIKey is AYLIMMMXJRRZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-12-5-4-6-13(9-12)17(16-7-2-3-8-21-16)23-19-15(18(20)25)10-14(11-22-19)24(26)27/h2-11,17H,1H3,(H2,20,25)(H,22,23).
What are the key properties of 2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-5-nitropyridine-3-carboxamide?
2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-5-nitropyridine-3-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 133414724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).