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

C17H15FN6O — CID 70234157

IUPACN-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-3-fluoropyridine-2-carboxamide
SMILESNc1ncccc1NCc1cc(NC(=O)c2ncccc2F)ccn1
InChIInChI=1S/C17H15FN6O/c18-13-3-1-6-21-15(13)17(25)24-11-5-8-20-12(9-11)10-23-14-4-2-7-22-16(14)19/h1-9,23H,10H2,(H2,19,22)(H,20,24,25)
InChIKeyCZYOGJKJCDDJLK-UHFFFAOYSA-N
MW338.35 g/mol
LogP2.46
Rot. Bonds5

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

N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-3-fluoropyridine-2-carboxamide (PubChem CID 70234157) has the molecular formula C17H15FN6O and a molecular weight of 338.35 g/mol. Its IUPAC name is N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-3-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-3-fluoropyridine-2-carboxamide
PubChem CID70234157
Molecular FormulaC17H15FN6O
Molecular Weight338.35 g/mol
Exact Mass338.13
IUPAC NameN-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-3-fluoropyridine-2-carboxamide
SMILESNc1ncccc1NCc1cc(NC(=O)c2ncccc2F)ccn1
InChIInChI=1S/C17H15FN6O/c18-13-3-1-6-21-15(13)17(25)24-11-5-8-20-12(9-11)10-23-14-4-2-7-22-16(14)19/h1-9,23H,10H2,(H2,19,22)(H,20,24,25)
InChIKeyCZYOGJKJCDDJLK-UHFFFAOYSA-N
XLogP2.46
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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]-3,5-dimethoxypyridine-2-carboxamide
CID 70234636
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-3,5-difluoropyridine-2-carboxamide
CID 70235259
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-nitropyridine-2-carboxamide
CID 70234464
N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-pyrazol-1-ylpyrazine-2-carboxamide
CID 70232054
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-2,4-dichlorobenzamide
CID 70233646
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(3-fluoro-2-pyridinyl)ethanone
CID 58449100
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-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-3-methylfuran-2-carboxamide
CID 45381482
N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-5-pent-3-ynoxypyrazine-2-carboxamide
CID 70235307

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-3-fluoropyridine-2-carboxamide?
The IUPAC name of N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-3-fluoropyridine-2-carboxamide (CID 70234157) is N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-3-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-3-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-3-fluoropyridine-2-carboxamide is Nc1ncccc1NCc1cc(NC(=O)c2ncccc2F)ccn1.
What is the InChIKey of N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-3-fluoropyridine-2-carboxamide?
The InChIKey is CZYOGJKJCDDJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O/c18-13-3-1-6-21-15(13)17(25)24-11-5-8-20-12(9-11)10-23-14-4-2-7-22-16(14)19/h1-9,23H,10H2,(H2,19,22)(H,20,24,25).
What are the key properties of N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-3-fluoropyridine-2-carboxamide?
N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-3-fluoropyridine-2-carboxamide has a molecular weight of 338.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-3-fluoropyridine-2-carboxamide is sourced from PubChem (CID 70234157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).