N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoropyridine-4-carboxamide

C19H19FN6O — CID 122287408

IUPACN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoropyridine-4-carboxamide
SMILESCc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3ccncc3F)cc2)n1
InChIInChI=1S/C19H19FN6O/c1-12-10-17(26(2)3)25-19(22-12)24-14-6-4-13(5-7-14)23-18(27)15-8-9-21-11-16(15)20/h4-11H,1-3H3,(H,23,27)(H,22,24,25)
InChIKeyRMJUMOPKXBSIOM-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.38
Rot. Bonds5

About N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoropyridine-4-carboxamide

N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoropyridine-4-carboxamide (PubChem CID 122287408) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoropyridine-4-carboxamide
PubChem CID122287408
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC NameN-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoropyridine-4-carboxamide
SMILESCc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3ccncc3F)cc2)n1
InChIInChI=1S/C19H19FN6O/c1-12-10-17(26(2)3)25-19(22-12)24-14-6-4-13(5-7-14)23-18(27)15-8-9-21-11-16(15)20/h4-11H,1-3H3,(H,23,27)(H,22,24,25)
InChIKeyRMJUMOPKXBSIOM-UHFFFAOYSA-N
XLogP3.38
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2,4-dimethylbenzamide
CID 121032306
N-[6-(dimethylamino)-3-pyridinyl]-3-fluoropyridine-4-carboxamide
CID 115645650
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(trifluoromethoxy)benzamide
CID 122287334
1-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(3,4-dimethylphenyl)urea
CID 122287217
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 122287302
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzamide
CID 27537410
3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide
CID 129252405
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-methylthiadiazole-5-carboxamide
CID 122287247
N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-2-fluorobenzamide
CID 121032203
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenoxybenzamide
CID 122287304
2-(4-chlorophenyl)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 122287191
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-ethoxybenzamide
CID 46362597

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoropyridine-4-carboxamide (CID 122287408) is N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoropyridine-4-carboxamide is Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3ccncc3F)cc2)n1.
What is the InChIKey of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is RMJUMOPKXBSIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c1-12-10-17(26(2)3)25-19(22-12)24-14-6-4-13(5-7-14)23-18(27)15-8-9-21-11-16(15)20/h4-11H,1-3H3,(H,23,27)(H,22,24,25).
What are the key properties of N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoropyridine-4-carboxamide?
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 122287408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).