N-[4-(aminomethyl)phenyl]-2-nitrosopyridine-3-carboxamide

C13H12N4O2 — CID 174913098

IUPACN-[4-(aminomethyl)phenyl]-2-nitrosopyridine-3-carboxamide
SMILESNCc1ccc(NC(=O)c2cccnc2N=O)cc1
InChIInChI=1S/C13H12N4O2/c14-8-9-3-5-10(6-4-9)16-13(18)11-2-1-7-15-12(11)17-19/h1-7H,8,14H2,(H,16,18)
InChIKeyCEBSMZGKJIYXCU-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.19
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-2-nitrosopyridine-3-carboxamide

N-[4-(aminomethyl)phenyl]-2-nitrosopyridine-3-carboxamide (PubChem CID 174913098) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-nitrosopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-nitrosopyridine-3-carboxamide
PubChem CID174913098
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC NameN-[4-(aminomethyl)phenyl]-2-nitrosopyridine-3-carboxamide
SMILESNCc1ccc(NC(=O)c2cccnc2N=O)cc1
InChIInChI=1S/C13H12N4O2/c14-8-9-3-5-10(6-4-9)16-13(18)11-2-1-7-15-12(11)17-19/h1-7H,8,14H2,(H,16,18)
InChIKeyCEBSMZGKJIYXCU-UHFFFAOYSA-N
XLogP2.19
TPSA97.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(aminomethyl)phenyl]quinoline-5-carboxamide
CID 62848806
N-[4-(aminomethyl)phenyl]-2,3-dihydroxybenzamide
CID 114343071
1-N-[4-(aminomethyl)phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide
CID 67175982
2-methyl-N-[4-(sulfamoylmethyl)phenyl]pyridine-3-carboxamide
CID 78950943
N-[4-(2-aminoethyl)phenyl]-2-hydroxybenzamide
CID 62303022
2-amino-N-[[4-(aminomethyl)phenyl]methyl]pyridine-3-carboxamide
CID 174625318
4-(aminomethyl)-N-pyridin-4-ylbenzamide
CID 16771252
2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 103752138
N-[4-(cyanomethyl)phenyl]-2-methylpyridine-3-carboxamide
CID 78950821
2-bromo-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 103754203
N-[4-(aminomethyl)phenyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104668843
N-[4-(2-methylsulfanylethyl)phenyl]quinoline-8-carboxamide
CID 154747549

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-nitrosopyridine-3-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-nitrosopyridine-3-carboxamide (CID 174913098) is N-[4-(aminomethyl)phenyl]-2-nitrosopyridine-3-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-nitrosopyridine-3-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-nitrosopyridine-3-carboxamide is NCc1ccc(NC(=O)c2cccnc2N=O)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-nitrosopyridine-3-carboxamide?
The InChIKey is CEBSMZGKJIYXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c14-8-9-3-5-10(6-4-9)16-13(18)11-2-1-7-15-12(11)17-19/h1-7H,8,14H2,(H,16,18).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-nitrosopyridine-3-carboxamide?
N-[4-(aminomethyl)phenyl]-2-nitrosopyridine-3-carboxamide has a molecular weight of 256.26 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-nitrosopyridine-3-carboxamide is sourced from PubChem (CID 174913098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).