N-(4-chlorophenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide

C22H17ClN4O2 — CID 24824045

IUPACN-(4-chlorophenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
SMILESCNc1cc(Oc2ccc3c(C(=O)Nc4ccc(Cl)cc4)cccc3c2)ncn1
InChIInChI=1S/C22H17ClN4O2/c1-24-20-12-21(26-13-25-20)29-17-9-10-18-14(11-17)3-2-4-19(18)22(28)27-16-7-5-15(23)6-8-16/h2-13H,1H3,(H,27,28)(H,24,25,26)
InChIKeyAQVFWRSBDBVMFI-UHFFFAOYSA-N
MW404.86 g/mol
LogP5.37
Rot. Bonds5

About N-(4-chlorophenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide

N-(4-chlorophenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide (PubChem CID 24824045) has the molecular formula C22H17ClN4O2 and a molecular weight of 404.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
PubChem CID24824045
Molecular FormulaC22H17ClN4O2
Molecular Weight404.86 g/mol
Exact Mass404.10
IUPAC NameN-(4-chlorophenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
SMILESCNc1cc(Oc2ccc3c(C(=O)Nc4ccc(Cl)cc4)cccc3c2)ncn1
InChIInChI=1S/C22H17ClN4O2/c1-24-20-12-21(26-13-25-20)29-17-9-10-18-14(11-17)3-2-4-19(18)22(28)27-16-7-5-15(23)6-8-16/h2-13H,1H3,(H,27,28)(H,24,25,26)
InChIKeyAQVFWRSBDBVMFI-UHFFFAOYSA-N
XLogP5.37
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.86
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-[[2-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 145351804
Furo[2,3-d]pyrimidine deriv. 7l
CID 5329813
6-((6-acetamidopyrimidin-4-yl)oxy)-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-1-naphthamide
CID 67406169
Nvp-baw2881
CID 16004702
N-(4-chlorophenyl)-6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 24822265
N-(4-chlorophenyl)-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
CID 24822266
n-(4-Chlorophenyl)-6-(4-pyridinyloxy)-1-naphthalenecarboxamide
CID 24824043
N-(4-chlorophenyl)-6-(pyrimidin-4-yloxy)-1-naphthamide
CID 24824044
N-(4-chlorophenyl)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)naphthalene-1-carboxamide
CID 24824183
N-(4-chlorophenyl)-6-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalene-1-carboxamide
CID 24824186
N-methyl-6-[[2-[[4-(prop-2-enoylamino)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 145351737
N-methyl-6-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 145351784

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide (CID 24824045) is N-(4-chlorophenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide is CNc1cc(Oc2ccc3c(C(=O)Nc4ccc(Cl)cc4)cccc3c2)ncn1.
What is the InChIKey of N-(4-chlorophenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide?
The InChIKey is AQVFWRSBDBVMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O2/c1-24-20-12-21(26-13-25-20)29-17-9-10-18-14(11-17)3-2-4-19(18)22(28)27-16-7-5-15(23)6-8-16/h2-13H,1H3,(H,27,28)(H,24,25,26).
What are the key properties of N-(4-chlorophenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide?
N-(4-chlorophenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide has a molecular weight of 404.86 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-[6-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide is sourced from PubChem (CID 24824045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).