4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide

C16H11Cl2N5O2 — CID 172594112

IUPAC4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide
SMILESNc1ncn(-c2c(Cl)cccc2Cl)c(=O)c1C(=O)Nc1cccnc1
InChIInChI=1S/C16H11Cl2N5O2/c17-10-4-1-5-11(18)13(10)23-8-21-14(19)12(16(23)25)15(24)22-9-3-2-6-20-7-9/h1-8H,19H2,(H,22,24)
InChIKeySXQNLLJVANXKKX-UHFFFAOYSA-N
MW376.20 g/mol
LogP2.77
Rot. Bonds3

About 4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide

4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide (PubChem CID 172594112) has the molecular formula C16H11Cl2N5O2 and a molecular weight of 376.20 g/mol. Its IUPAC name is 4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide
PubChem CID172594112
Molecular FormulaC16H11Cl2N5O2
Molecular Weight376.20 g/mol
Exact Mass375.03
IUPAC Name4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide
SMILESNc1ncn(-c2c(Cl)cccc2Cl)c(=O)c1C(=O)Nc1cccnc1
InChIInChI=1S/C16H11Cl2N5O2/c17-10-4-1-5-11(18)13(10)23-8-21-14(19)12(16(23)25)15(24)22-9-3-2-6-20-7-9/h1-8H,19H2,(H,22,24)
InChIKeySXQNLLJVANXKKX-UHFFFAOYSA-N
XLogP2.77
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-phenylpyrimidine-5-carboxamide
CID 172593964
methyl 4-[4-amino-6-oxo-5-(pyridin-3-ylcarbamoyl)pyrimidin-1-yl]-3,5-dichlorobenzoate;piperidine
CID 172593941
4-amino-1-(4-methoxy-2,6-dimethylphenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide
CID 172593638
4-amino-N-[5-[(1S)-1-aminoethyl]-3-pyridinyl]-1-(2,6-dichloro-4-methoxyphenyl)-6-oxopyrimidine-5-carboxamide
CID 172593584
4-amino-1-(2,6-dichloro-4-methoxyphenyl)-N-[5-[(1R)-1-(methylamino)ethyl]-3-pyridinyl]-6-oxopyrimidine-5-carboxamide
CID 172593944
4-amino-1-(2,6-dichlorophenyl)-N-[2-fluoro-3-[(2S)-pyrrolidin-2-yl]phenyl]-6-oxopyrimidine-5-carboxamide
CID 172593691
4-amino-1-(2,6-dichloro-4-methoxyphenyl)-N-[5-(4-methylazetidin-2-yl)-3-pyridinyl]-6-oxopyrimidine-5-carboxamide
CID 172593551
4-amino-1-(4-ethyl-2,6-dimethylphenyl)-N-(5-ethyl-3-pyridinyl)-6-oxopyrimidine-5-carboxamide
CID 172594225
3-(2,6-dichlorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 5211022
7-amino-5-tert-butyl-1,3-dimethyl-2,4-dioxo-N-pyridin-3-ylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 23476572
4-amino-1-methyl-N-pyridin-3-ylpyrazole-5-carboxamide
CID 65355553
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide (CID 172594112) is 4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide is Nc1ncn(-c2c(Cl)cccc2Cl)c(=O)c1C(=O)Nc1cccnc1.
What is the InChIKey of 4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide?
The InChIKey is SXQNLLJVANXKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N5O2/c17-10-4-1-5-11(18)13(10)23-8-21-14(19)12(16(23)25)15(24)22-9-3-2-6-20-7-9/h1-8H,19H2,(H,22,24).
What are the key properties of 4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide?
4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide has a molecular weight of 376.20 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,6-dichlorophenyl)-6-oxo-N-pyridin-3-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 172594112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).