N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]naphthalene-2-carboxamide

C26H19N5O — CID 11625869

IUPACN-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccc(Nc2nccc(-c3cccnc3)n2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C26H19N5O/c32-25(20-8-7-18-4-1-2-5-19(18)16-20)29-22-9-11-23(12-10-22)30-26-28-15-13-24(31-26)21-6-3-14-27-17-21/h1-17H,(H,29,32)(H,28,30,31)
InChIKeyBXCOYVWISSABID-UHFFFAOYSA-N
MW417.47 g/mol
LogP5.69
Rot. Bonds5

About N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]naphthalene-2-carboxamide

N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]naphthalene-2-carboxamide (PubChem CID 11625869) has the molecular formula C26H19N5O and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]naphthalene-2-carboxamide
PubChem CID11625869
Molecular FormulaC26H19N5O
Molecular Weight417.47 g/mol
Exact Mass417.16
IUPAC NameN-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccc(Nc2nccc(-c3cccnc3)n2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C26H19N5O/c32-25(20-8-7-18-4-1-2-5-19(18)16-20)29-22-9-11-23(12-10-22)30-26-28-15-13-24(31-26)21-6-3-14-27-17-21/h1-17H,(H,29,32)(H,28,30,31)
InChIKeyBXCOYVWISSABID-UHFFFAOYSA-N
XLogP5.69
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.47
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamothioyl]naphthalene-2-carboxamide
CID 71304469
4-methyl-3-(prop-2-enoylamino)-N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 71664306
N-(4-chlorophenyl)-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 11281472
4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide
CID 10090314
4-bromo-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 177190731
3-[4-(dimethylamino)but-2-enoylamino]-4-methyl-N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 76516570
N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]naphthalene-2-carboxamide
CID 16873145
N-[4-[2-(dimethylamino)ethyl]phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 155689093
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid
CID 14346982
N-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide
CID 58716978
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(trifluoromethoxy)benzamide
CID 10298544

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]naphthalene-2-carboxamide (CID 11625869) is N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]naphthalene-2-carboxamide is O=C(Nc1ccc(Nc2nccc(-c3cccnc3)n2)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]naphthalene-2-carboxamide?
The InChIKey is BXCOYVWISSABID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5O/c32-25(20-8-7-18-4-1-2-5-19(18)16-20)29-22-9-11-23(12-10-22)30-26-28-15-13-24(31-26)21-6-3-14-27-17-21/h1-17H,(H,29,32)(H,28,30,31).
What are the key properties of N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]naphthalene-2-carboxamide?
N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]naphthalene-2-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 5.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 11625869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).