N-(5-fluoro-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide

C12H11FN4O — CID 81245310

IUPACN-(5-fluoro-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)Nc1ccc(F)cn1
InChIInChI=1S/C12H11FN4O/c1-14-10-4-5-15-7-9(10)12(18)17-11-3-2-8(13)6-16-11/h2-7H,1H3,(H,14,15)(H,16,17,18)
InChIKeyUHQZNXFNKNDSJU-UHFFFAOYSA-N
MW246.25 g/mol
LogP1.91
Rot. Bonds3

About N-(5-fluoro-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide

N-(5-fluoro-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide (PubChem CID 81245310) has the molecular formula C12H11FN4O and a molecular weight of 246.25 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
PubChem CID81245310
Molecular FormulaC12H11FN4O
Molecular Weight246.25 g/mol
Exact Mass246.09
IUPAC NameN-(5-fluoro-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)Nc1ccc(F)cn1
InChIInChI=1S/C12H11FN4O/c1-14-10-4-5-15-7-9(10)12(18)17-11-3-2-8(13)6-16-11/h2-7H,1H3,(H,14,15)(H,16,17,18)
InChIKeyUHQZNXFNKNDSJU-UHFFFAOYSA-N
XLogP1.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-fluoro-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
CID 114244418
N-(3-fluoro-4-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
CID 107595502
N-(5-bromo-4-methyl-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245636
N-(5-fluoro-2-pyridinyl)-6-(methylamino)pyridine-3-carboxamide
CID 65482281
3-(methylamino)-N-(5-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 105068062
4-(methylamino)-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide
CID 81243181
N-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81236247
N-(5-fluoro-2-pyridinyl)-2-(methylamino)pyridine-4-carboxamide
CID 65479896
N-(4-bromo-3-fluorophenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245752
4-(ethylamino)-N-(5-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 81233596
2-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 103754643
4-(ethylamino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 81236169

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide (CID 81245310) is N-(5-fluoro-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide is CNc1ccncc1C(=O)Nc1ccc(F)cn1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide?
The InChIKey is UHQZNXFNKNDSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O/c1-14-10-4-5-15-7-9(10)12(18)17-11-3-2-8(13)6-16-11/h2-7H,1H3,(H,14,15)(H,16,17,18).
What are the key properties of N-(5-fluoro-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide?
N-(5-fluoro-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide has a molecular weight of 246.25 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-4-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81245310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).