N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-1-carboxamide

C25H25N5O — CID 122325017

IUPACN-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-1-carboxamide
SMILESCc1ccc(Nc2cc(C)nc(NCCNC(=O)c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C25H25N5O/c1-17-10-12-20(13-11-17)29-23-16-18(2)28-25(30-23)27-15-14-26-24(31)22-9-5-7-19-6-3-4-8-21(19)22/h3-13,16H,14-15H2,1-2H3,(H,26,31)(H2,27,28,29,30)
InChIKeyBKUPZPGZNXCMSS-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.83
Rot. Bonds7

About N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-1-carboxamide

N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-1-carboxamide (PubChem CID 122325017) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-1-carboxamide
PubChem CID122325017
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC NameN-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-1-carboxamide
SMILESCc1ccc(Nc2cc(C)nc(NCCNC(=O)c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C25H25N5O/c1-17-10-12-20(13-11-17)29-23-16-18(2)28-25(30-23)27-15-14-26-24(31)22-9-5-7-19-6-3-4-8-21(19)22/h3-13,16H,14-15H2,1-2H3,(H,26,31)(H2,27,28,29,30)
InChIKeyBKUPZPGZNXCMSS-UHFFFAOYSA-N
XLogP4.83
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethoxy-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]benzamide
CID 122324842
2-methoxy-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]benzamide
CID 122324837
2,5-dichloro-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]thiophene-3-carboxamide
CID 122325148
2,4-dimethyl-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 122324881
2-(2-chloro-6-fluorophenyl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide
CID 122325152
N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]naphthalene-1-carboxamide
CID 121075164
2-methoxy-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide
CID 121075015
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 121075061
6-methyl-4-N-(4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80762323
3-fluoro-N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]benzamide
CID 121075077
1-(3,5-difluorophenyl)-3-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]urea
CID 122324911
2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl acetate;hydrochloride
CID 24766735

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-1-carboxamide (CID 122325017) is N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-1-carboxamide is Cc1ccc(Nc2cc(C)nc(NCCNC(=O)c3cccc4ccccc34)n2)cc1.
What is the InChIKey of N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-1-carboxamide?
The InChIKey is BKUPZPGZNXCMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c1-17-10-12-20(13-11-17)29-23-16-18(2)28-25(30-23)27-15-14-26-24(31)22-9-5-7-19-6-3-4-8-21(19)22/h3-13,16H,14-15H2,1-2H3,(H,26,31)(H2,27,28,29,30).
What are the key properties of N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-1-carboxamide?
N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-1-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 4.83, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 122325017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).