N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-nitropyridine-2-carboxamide

C17H15N7O3 — CID 70234464

IUPACN-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-nitropyridine-2-carboxamide
SMILESNc1ncccc1NCc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)ccn1
InChIInChI=1S/C17H15N7O3/c18-16-14(2-1-6-20-16)21-9-12-8-11(5-7-19-12)23-17(25)15-4-3-13(10-22-15)24(26)27/h1-8,10,21H,9H2,(H2,18,20)(H,19,23,25)
InChIKeyCGMIHHMNEXKQHA-UHFFFAOYSA-N
MW365.35 g/mol
LogP2.23
Rot. Bonds6

About N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-nitropyridine-2-carboxamide

N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-nitropyridine-2-carboxamide (PubChem CID 70234464) has the molecular formula C17H15N7O3 and a molecular weight of 365.35 g/mol. Its IUPAC name is N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-nitropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-nitropyridine-2-carboxamide
PubChem CID70234464
Molecular FormulaC17H15N7O3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC NameN-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-nitropyridine-2-carboxamide
SMILESNc1ncccc1NCc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)ccn1
InChIInChI=1S/C17H15N7O3/c18-16-14(2-1-6-20-16)21-9-12-8-11(5-7-19-12)23-17(25)15-4-3-13(10-22-15)24(26)27/h1-8,10,21H,9H2,(H2,18,20)(H,19,23,25)
InChIKeyCGMIHHMNEXKQHA-UHFFFAOYSA-N
XLogP2.23
TPSA148.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-chloropyridine-2-carboxamide
CID 70233906
N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-pyrazol-1-ylpyrazine-2-carboxamide
CID 70232054
N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-pent-3-ynoxypyrazine-2-carboxamide
CID 70235307
N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-cyanopyrimidine-2-carboxamide
CID 70233511
N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-[(Z)-pent-2-enoxy]pyrazine-2-carboxamide
CID 70234668
N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-(2-ethoxyethoxy)pyrazine-2-carboxamide
CID 70234102
N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-3-fluoropyridine-2-carboxamide
CID 70234157
N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-3,5-dimethoxypyridine-2-carboxamide
CID 70234636
5-nitro-N-[4-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide
CID 157044268
2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone
CID 58448836
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-5-(1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 70234437
2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-quinoxalin-2-ylethanone
CID 58448444

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-nitropyridine-2-carboxamide?
The IUPAC name of N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-nitropyridine-2-carboxamide (CID 70234464) is N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-nitropyridine-2-carboxamide.
What is the SMILES notation for N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-nitropyridine-2-carboxamide?
The canonical SMILES for N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-nitropyridine-2-carboxamide is Nc1ncccc1NCc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)ccn1.
What is the InChIKey of N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-nitropyridine-2-carboxamide?
The InChIKey is CGMIHHMNEXKQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O3/c18-16-14(2-1-6-20-16)21-9-12-8-11(5-7-19-12)23-17(25)15-4-3-13(10-22-15)24(26)27/h1-8,10,21H,9H2,(H2,18,20)(H,19,23,25).
What are the key properties of N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-nitropyridine-2-carboxamide?
N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-nitropyridine-2-carboxamide has a molecular weight of 365.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-nitropyridine-2-carboxamide is sourced from PubChem (CID 70234464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).