N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]naphthalene-2-carboxamide

C29H25N5O — CID 18566649

IUPACN-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]naphthalene-2-carboxamide
SMILESCc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)c4ccc5ccccc5c4)cc3)n2)cc1
InChIInChI=1S/C29H25N5O/c1-19-7-11-24(12-8-19)31-27-17-20(2)30-29(34-27)33-26-15-13-25(14-16-26)32-28(35)23-10-9-21-5-3-4-6-22(21)18-23/h3-18H,1-2H3,(H,32,35)(H2,30,31,33,34)
InChIKeyQLDRPEMMRFLTME-UHFFFAOYSA-N
MW459.55 g/mol
LogP6.99
Rot. Bonds6

About N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]naphthalene-2-carboxamide

N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]naphthalene-2-carboxamide (PubChem CID 18566649) has the molecular formula C29H25N5O and a molecular weight of 459.55 g/mol. Its IUPAC name is N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]naphthalene-2-carboxamide
PubChem CID18566649
Molecular FormulaC29H25N5O
Molecular Weight459.55 g/mol
Exact Mass459.21
IUPAC NameN-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]naphthalene-2-carboxamide
SMILESCc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)c4ccc5ccccc5c4)cc3)n2)cc1
InChIInChI=1S/C29H25N5O/c1-19-7-11-24(12-8-19)31-27-17-20(2)30-29(34-27)33-26-15-13-25(14-16-26)32-28(35)23-10-9-21-5-3-4-6-22(21)18-23/h3-18H,1-2H3,(H,32,35)(H2,30,31,33,34)
InChIKeyQLDRPEMMRFLTME-UHFFFAOYSA-N
XLogP6.99
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 56.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-4-phenoxybenzamide
CID 122296113
3-methoxy-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]benzamide
CID 44826839
4-chloro-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 121090463
N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122296069
1-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]-3-phenylurea
CID 18566756
2-iodo-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 121090495
N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-3,4-dimethoxybenzamide
CID 44826831
6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927319
N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-4-butoxybenzamide
CID 27621694
N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
CID 122296060
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-2-methylbenzamide
CID 121032199

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]naphthalene-2-carboxamide (CID 18566649) is N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]naphthalene-2-carboxamide is Cc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)c4ccc5ccccc5c4)cc3)n2)cc1.
What is the InChIKey of N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]naphthalene-2-carboxamide?
The InChIKey is QLDRPEMMRFLTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O/c1-19-7-11-24(12-8-19)31-27-17-20(2)30-29(34-27)33-26-15-13-25(14-16-26)32-28(35)23-10-9-21-5-3-4-6-22(21)18-23/h3-18H,1-2H3,(H,32,35)(H2,30,31,33,34).
What are the key properties of N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]naphthalene-2-carboxamide?
N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]naphthalene-2-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 6.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 18566649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).