N-[3-[(5R)-3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl]phenyl]-5-chloropyridine-2-carboxamide

C18H18ClN5O2 — CID 53481984

IUPACN-[3-[(5R)-3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl]phenyl]-5-chloropyridine-2-carboxamide
SMILESCN1CC(N)=N[C@](C)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)C1=O
InChIInChI=1S/C18H18ClN5O2/c1-18(17(26)24(2)10-15(20)23-18)11-4-3-5-13(8-11)22-16(25)14-7-6-12(19)9-21-14/h3-9H,10H2,1-2H3,(H2,20,23)(H,22,25)/t18-/m1/s1
InChIKeyMRYFMHAPTQCQLE-GOSISDBHSA-N
MW371.83 g/mol
LogP2.03
Rot. Bonds3

About N-[3-[(5R)-3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl]phenyl]-5-chloropyridine-2-carboxamide

N-[3-[(5R)-3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl]phenyl]-5-chloropyridine-2-carboxamide (PubChem CID 53481984) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is N-[3-[(5R)-3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl]phenyl]-5-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(5R)-3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl]phenyl]-5-chloropyridine-2-carboxamide
PubChem CID53481984
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC NameN-[3-[(5R)-3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl]phenyl]-5-chloropyridine-2-carboxamide
SMILESCN1CC(N)=N[C@](C)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)C1=O
InChIInChI=1S/C18H18ClN5O2/c1-18(17(26)24(2)10-15(20)23-18)11-4-3-5-13(8-11)22-16(25)14-7-6-12(19)9-21-14/h3-9H,10H2,1-2H3,(H2,20,23)(H,22,25)/t18-/m1/s1
InChIKeyMRYFMHAPTQCQLE-GOSISDBHSA-N
XLogP2.03
TPSA100.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[(5R)-3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl]phenyl]-5-chloropyridine-2-carboxamide with MolForge

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Related Compounds

Example 1 (WO2011029803)
CID 50938551
n-(2-Aminophenyl)-4-{3-chloro-5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}benzamide
CID 11712071
example 92 (WO2012095521)
CID 50913216
N-{3-[(3r)-5-Amino-3-Methyl-3,6-Dihydro-2h-1,4-Oxazin-3-Yl]phenyl}-5-Chloropyridine-2-Carboxamide
CID 50991585
example 2 [WO2013004676]
CID 71202307
N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-5-chloropyridine-2-carboxamide
CID 49819085
N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 51039270
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-3,5-dichloropyridine-2-carboxamide
CID 53241150
CID 54577822
CID 54577822
5-Chloro-pyridine-2-carboxylic acid [3-((R)-5-amino-3,6,6-trimethyl-1,1-dioxo-1,2,3,6-tetrahydro-1lambda6-[1,4]thiazin-3-yl)-4-fluoro-phenyl]-amide
CID 66562362
N-[3-[(5S)-3-amino-5-methyl-6,7-dihydro-2H-1,4-oxazepin-5-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 67463314
N-[3-[(7R)-9-amino-2,7-dimethyl-5,5-dioxo-5lambda6-thia-2,8-diazaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 85471653

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5R)-3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl]phenyl]-5-chloropyridine-2-carboxamide?
The IUPAC name of N-[3-[(5R)-3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl]phenyl]-5-chloropyridine-2-carboxamide (CID 53481984) is N-[3-[(5R)-3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl]phenyl]-5-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(5R)-3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl]phenyl]-5-chloropyridine-2-carboxamide?
The canonical SMILES for N-[3-[(5R)-3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl]phenyl]-5-chloropyridine-2-carboxamide is CN1CC(N)=N[C@](C)(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)C1=O.
What is the InChIKey of N-[3-[(5R)-3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl]phenyl]-5-chloropyridine-2-carboxamide?
The InChIKey is MRYFMHAPTQCQLE-GOSISDBHSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c1-18(17(26)24(2)10-15(20)23-18)11-4-3-5-13(8-11)22-16(25)14-7-6-12(19)9-21-14/h3-9H,10H2,1-2H3,(H2,20,23)(H,22,25)/t18-/m1/s1.
What are the key properties of N-[3-[(5R)-3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl]phenyl]-5-chloropyridine-2-carboxamide?
N-[3-[(5R)-3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl]phenyl]-5-chloropyridine-2-carboxamide has a molecular weight of 371.83 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5R)-3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl]phenyl]-5-chloropyridine-2-carboxamide is sourced from PubChem (CID 53481984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).