3-(2-amino-5-methyl-3-pyridinyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]benzamide

C21H23N5O2 — CID 169420165

IUPAC3-(2-amino-5-methyl-3-pyridinyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]benzamide
SMILESCc1cnc(N)c(-c2cccc(C(=O)NCCn3c(C)cc(C)nc3=O)c2)c1
InChIInChI=1S/C21H23N5O2/c1-13-9-18(19(22)24-12-13)16-5-4-6-17(11-16)20(27)23-7-8-26-15(3)10-14(2)25-21(26)28/h4-6,9-12H,7-8H2,1-3H3,(H2,22,24)(H,23,27)
InChIKeyKSYDKIYNTYLGBV-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.24
Rot. Bonds5

About 3-(2-amino-5-methyl-3-pyridinyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]benzamide

3-(2-amino-5-methyl-3-pyridinyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]benzamide (PubChem CID 169420165) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-(2-amino-5-methyl-3-pyridinyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(2-amino-5-methyl-3-pyridinyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]benzamide
PubChem CID169420165
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name3-(2-amino-5-methyl-3-pyridinyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]benzamide
SMILESCc1cnc(N)c(-c2cccc(C(=O)NCCn3c(C)cc(C)nc3=O)c2)c1
InChIInChI=1S/C21H23N5O2/c1-13-9-18(19(22)24-12-13)16-5-4-6-17(11-16)20(27)23-7-8-26-15(3)10-14(2)25-21(26)28/h4-6,9-12H,7-8H2,1-3H3,(H2,22,24)(H,23,27)
InChIKeyKSYDKIYNTYLGBV-UHFFFAOYSA-N
XLogP2.24
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-anilino-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 72913236
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(4,5-dimethylpyridazin-3-yl)benzamide
CID 163307472
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-(2-methylprop-2-enoxy)benzamide
CID 46985669
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-morpholin-4-ylbenzamide
CID 131942685
3-[6-amino-5-(4-hydroxyphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)benzamide
CID 24821159
3-[6-amino-5-(4-phenylphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 25106863
2-[3-(2-amino-5-methyl-3-pyridinyl)phenyl]acetic acid
CID 155500382
1-(2,3-dihydro-1H-inden-4-yl)-3-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]urea
CID 72887082
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 156585394
3-[6-amino-5-(3-phenoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 25107397
3-[6-amino-5-(3,5-dimethoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 58238273
3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)benzamide
CID 126672906

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-methyl-3-pyridinyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]benzamide?
The IUPAC name of 3-(2-amino-5-methyl-3-pyridinyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]benzamide (CID 169420165) is 3-(2-amino-5-methyl-3-pyridinyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-(2-amino-5-methyl-3-pyridinyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]benzamide?
The canonical SMILES for 3-(2-amino-5-methyl-3-pyridinyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]benzamide is Cc1cnc(N)c(-c2cccc(C(=O)NCCn3c(C)cc(C)nc3=O)c2)c1.
What is the InChIKey of 3-(2-amino-5-methyl-3-pyridinyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]benzamide?
The InChIKey is KSYDKIYNTYLGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-13-9-18(19(22)24-12-13)16-5-4-6-17(11-16)20(27)23-7-8-26-15(3)10-14(2)25-21(26)28/h4-6,9-12H,7-8H2,1-3H3,(H2,22,24)(H,23,27).
What are the key properties of 3-(2-amino-5-methyl-3-pyridinyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]benzamide?
3-(2-amino-5-methyl-3-pyridinyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]benzamide has a molecular weight of 377.45 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-methyl-3-pyridinyl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 169420165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).